data_2lb6_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 2lb6 _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 ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.919 0.39 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -164.2 -179.48 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -136.49 166.61 23.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -72.78 -8.06 53.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.8 p -54.25 -25.11 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.31 39.88 1.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -128.16 99.9 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.6 t30 55.92 48.51 17.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -99.15 135.07 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -123.83 110.57 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.17 -13.71 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -70.62 -14.16 62.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -87.52 -55.45 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.1 pt -54.58 -25.14 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -58.5 127.3 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.31 -175.64 19.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.65 119.99 7.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.796 0.332 . . . . 0.0 110.926 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -108.24 176.75 5.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -163.05 146.96 11.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.44 102.54 14.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.8 mm -70.39 -67.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -136.86 144.34 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -113.41 119.15 36.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.83 130.0 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.5 t -168.65 146.84 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.839 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 9.1 p30 -68.69 81.41 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.52 71.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -54.67 -30.3 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -73.71 -6.43 46.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.67 -49.85 4.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.87 40.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -173.93 2.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -51.01 118.66 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 60.06 41.93 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.3 -144.96 0.26 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -124.55 -36.7 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -94.66 -7.7 40.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -74.78 72.65 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.83 155.75 43.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.45 156.78 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.2 tp -102.8 150.67 23.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.97 -172.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -80.85 108.0 14.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.44 139.89 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.177 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -106.33 99.42 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.22 127.15 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 mt -115.15 -167.37 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.17 -53.59 51.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.81 -20.51 2.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.3 m -108.15 -179.29 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.84 124.18 6.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 51.2 t -79.76 146.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -149.35 135.54 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -117.57 152.69 34.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -129.96 171.09 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -116.58 112.32 21.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.889 0.375 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.29 174.83 5.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.8 p -124.42 132.2 53.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -132.94 168.78 17.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.6 t -150.29 100.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.19 117.59 20.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -114.14 178.7 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -90.28 169.7 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.9 p -151.45 179.93 7.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.174 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.66 -19.77 65.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -58.54 -177.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.14 104.05 12.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.22 30.65 78.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -126.86 109.83 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 110.958 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -80.63 159.48 25.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 76.6 p -119.36 115.53 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.51 135.76 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.6 m -72.97 92.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.84 172.7 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -48.62 -28.15 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.77 164.27 27.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -49.74 118.85 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.54 169.45 24.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.55 125.41 16.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -99.11 128.14 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 p -135.23 -179.92 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.8 mt -139.21 95.5 9.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -48.87 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.748 2.299 . . . . 0.0 112.353 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.25 108.38 15.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 t -107.02 89.62 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.2 52.85 0.78 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.65 -32.92 1.63 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.28 -43.77 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -120.59 -70.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -136.69 133.5 36.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.4 tp -91.65 150.71 21.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.4 mtm -132.09 136.12 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -131.37 152.31 50.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -134.14 111.97 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.0 tt -122.18 138.54 54.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.5 mt -126.88 130.88 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -121.69 127.06 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -114.55 100.09 8.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.45 153.64 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 61.26 33.37 19.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.99 11.51 58.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -133.85 146.44 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -138.42 160.09 40.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.28 151.18 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.32 107.67 19.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -97.82 139.84 33.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 20.0 mtp -144.06 115.34 7.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -105.56 111.94 3.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.6 tp -79.67 128.32 33.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -120.94 159.04 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.59 152.82 24.44 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -50.77 -30.04 13.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.33 161.74 22.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.84 19.54 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -147.46 141.2 25.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 25.6 mt -108.81 144.99 35.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.8 t -68.67 -179.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.5 m -80.36 -6.97 58.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -31.21 17.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 91.9 mt -90.88 -45.04 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -56.0 -27.96 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -74.97 -30.27 61.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -57.56 -45.7 84.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -63.43 -38.85 92.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.78 -18.27 54.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -80.79 -26.56 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.6 tt -90.72 -35.88 14.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 11.1 p -54.25 -34.39 60.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -73.04 -25.65 61.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.83 -31.01 56.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -87.27 5.54 37.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.28 -10.64 73.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 29.5 mt -77.96 99.49 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.782 0.325 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.16 148.65 2.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -21.54 62.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.93 -25.16 55.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -72.55 -9.41 58.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.32 118.4 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -106.1 126.52 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -78.86 132.37 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.66 -179.34 7.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 p -133.31 156.36 47.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 p -69.71 -10.74 59.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.4 p -53.92 -24.28 15.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.59 40.09 1.38 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -129.12 99.93 5.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 t30 59.68 43.79 15.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -97.86 142.36 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.05 95.99 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.78 -12.17 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.23 -22.3 62.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -79.24 -53.6 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.5 pt -58.86 -20.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -63.14 125.85 25.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.83 -177.3 18.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.553 ' N ' HE21 ' A' ' 63' ' ' GLN . 56.4 mt-10 -56.02 119.74 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.857 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -105.58 -178.66 3.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -162.5 148.2 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.0 m -93.53 99.51 11.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 mm -68.88 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.0 mm -139.17 150.49 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -122.03 111.85 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.27 130.44 55.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.052 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.408 ' HB3' ' HA ' ' A' ' 135' ' ' LEU . 37.1 p -168.88 149.68 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.1 p30 -68.88 80.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.48 73.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.29 -28.3 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.07 -5.59 47.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 -47.33 4.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -100.53 44.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -170.4 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -48.87 -58.72 4.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -96.06 40.28 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.1 176.36 37.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -117.95 -16.34 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -101.51 -13.44 17.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.2 72.34 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.75 157.27 26.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -86.22 126.94 34.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.7 tp -73.4 152.27 40.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.45 -171.54 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.553 HE21 ' N ' ' A' ' 37' ' ' GLU . 9.1 tt0 -81.4 107.8 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 mt -62.84 138.22 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -108.59 101.76 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.7 t -63.99 109.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.3 mt -99.23 -167.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -58.58 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.66 10.94 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -131.05 -179.8 5.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.96 127.01 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.5 t -90.93 113.64 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -122.75 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -111.9 152.18 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -121.79 167.8 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -120.25 106.61 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.803 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.76 179.97 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -132.01 122.98 26.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.6 mmt -123.65 164.21 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 66.1 t -149.27 109.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.44 109.66 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.44 147.54 26.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -52.6 170.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.5 p -143.8 -179.6 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.46 -21.52 65.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -85.08 172.03 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.16 98.95 8.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.66 -24.63 13.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.542 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -91.84 107.99 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -89.09 159.0 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.3 p -121.3 118.36 29.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.0 p -108.94 129.94 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.5 m -64.99 91.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.31 172.18 6.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -50.77 -26.31 5.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.53 162.28 27.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -50.18 119.36 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.65 168.29 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.79 123.47 15.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -99.84 129.98 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.9 p -135.2 174.88 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.19 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.2 mt -136.81 90.29 16.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 111.162 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -49.08 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.743 2.295 . . . . 0.0 112.279 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.71 108.51 17.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.7 t -110.66 89.75 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.76 52.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -44.13 -33.11 1.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -49.44 -44.36 45.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -120.99 -69.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -136.39 132.73 35.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.1 tp -92.03 147.37 23.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 mtm -127.62 140.78 51.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.88 152.12 51.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -132.79 114.7 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.91 151.98 44.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.9 mt -141.16 125.51 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -117.81 125.76 51.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -112.06 100.47 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -138.67 157.04 46.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 60.18 28.68 18.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.67 6.69 67.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -130.06 153.11 48.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.966 0.412 . . . . 0.0 110.826 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -142.91 158.12 43.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.196 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -150.2 152.44 34.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -91.38 109.1 20.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 45' ' ' SER . 3.2 tm? -97.15 139.91 32.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 27.6 mtp -143.03 115.46 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -105.09 116.02 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.4 tt -79.57 127.6 32.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -121.46 148.1 44.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.15 151.96 24.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -50.84 -31.17 16.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -108.06 161.44 23.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -6.45 18.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -147.25 139.43 24.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 18.1 mt -108.98 147.39 32.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.1 t -70.52 177.62 3.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.0 m -79.49 -5.11 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -90.6 -31.72 16.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 84.7 mt -90.66 -44.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -53.92 -30.32 45.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.43 -30.32 63.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -62.37 -37.71 86.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -71.05 -37.48 72.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.44 -21.86 62.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.93 -52.93 37.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.92 -26.02 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.85 -70.22 0.19 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.54 -27.39 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.11 -28.99 63.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -93.42 -4.26 51.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 107.66 3.55 34.7 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 45.6 mt -98.18 96.39 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.38 159.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -66.79 -29.76 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -66.82 -13.68 61.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -89.37 -8.43 53.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.15 109.38 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.6 mp -100.13 109.41 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -87.5 125.64 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -170.29 -179.34 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -137.5 164.19 29.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 p -69.85 -9.97 56.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 p -53.08 -25.99 14.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 40.26 1.37 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -133.72 102.1 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.12 39.22 10.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -98.56 131.97 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -125.48 96.4 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.23 -15.68 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.4 -18.58 65.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -83.9 -53.75 5.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.2 pt -58.14 -21.19 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -60.79 125.54 24.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.18 177.7 15.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.479 ' N ' HE21 ' A' ' 63' ' ' GLN . 24.0 mt-10 -51.18 119.64 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -105.15 178.89 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -162.64 144.5 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.823 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.76 99.84 12.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 mm -67.49 -66.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.8 mm -140.14 144.14 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 tp -114.66 137.75 51.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -141.95 129.88 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.402 ' HB3' ' HA ' ' A' ' 135' ' ' LEU . 94.5 p -164.26 147.72 9.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 44.7 t0 -68.66 79.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.5 77.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.2 mmm-85 -55.25 -27.72 48.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -75.89 -5.67 47.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 -44.4 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.31 46.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.1 -171.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -49.13 -52.18 27.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -105.74 56.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.26 178.93 38.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -116.83 -20.56 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.02 -12.33 36.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -72.82 77.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.87 154.62 40.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.17 131.15 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.9 tp -72.06 152.06 42.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -109.03 -173.29 2.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.479 HE21 ' N ' ' A' ' 37' ' ' GLU . 9.8 tt0 -80.54 107.86 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.4 mt -62.99 138.23 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -108.28 101.2 10.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.8 t -62.51 116.24 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.7 mt -107.47 -167.78 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.57 -55.35 11.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -144.23 13.31 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 m -132.52 179.6 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.99 122.51 9.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.6 t -86.6 112.69 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -121.5 131.7 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -111.92 151.23 29.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -120.17 161.96 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -112.1 104.21 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.64 -179.79 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -125.65 113.1 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.0 mmt -115.44 146.39 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.1 p -137.36 116.83 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.57 112.72 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.042 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -112.09 152.72 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -56.68 163.85 1.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.3 p -149.47 177.82 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -60.26 -24.09 64.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -65.71 172.71 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.08 110.15 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.64 20.2 78.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -126.89 105.11 8.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -79.71 169.76 17.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.9 p -131.21 130.96 43.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.03 170.29 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.0 m -103.42 91.55 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.5 171.7 7.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.04 -26.22 5.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.26 169.8 26.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -50.68 121.73 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.55 170.43 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.45 138.98 21.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -107.26 138.03 44.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.0 p -143.82 173.06 12.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 52.8 mt -137.81 90.06 14.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -48.6 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.31 108.59 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 t -109.69 88.67 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.83 52.39 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.65 -33.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -51.72 -41.94 61.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -120.62 -70.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -138.0 132.9 32.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.0 tp -93.25 148.51 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.5 136.0 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -128.55 144.2 51.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -123.98 111.51 16.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.1 tt -128.31 126.99 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.8 mt -116.46 139.86 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -126.52 121.81 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -109.15 99.88 9.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -144.17 160.39 41.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.8 t0 63.45 34.13 13.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.67 18.58 64.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -148.64 160.26 43.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.1 t -145.81 159.63 42.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -148.91 151.96 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.824 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -94.13 121.9 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 45' ' ' SER . 4.4 tt -120.6 139.21 53.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 1.6 mtm -136.99 109.35 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -90.74 113.69 4.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.4 tp -82.86 130.21 35.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -122.95 160.04 27.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -151.78 153.12 24.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.566 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -50.73 -28.7 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.12 162.37 23.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.681 0.753 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -5.94 17.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.41 138.78 29.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.8 mt -108.87 145.43 35.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.8 t -66.97 167.9 10.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.44 ' HA ' ' HG2' ' A' ' 150' ' ' LYS . 7.9 t -71.85 -9.7 58.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -25.67 20.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 75.4 mt -90.88 -47.23 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . 0.44 ' HG2' ' HA ' ' A' ' 147' ' ' SER . 2.7 ptpp? -53.64 -29.86 40.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -70.2 -32.04 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -67.42 -19.83 65.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -80.2 -43.09 22.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.85 -25.35 56.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -65.33 -54.55 27.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 14.7 tp -63.06 -26.45 68.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 93.6 m -61.81 -66.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -60.33 -35.44 75.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.32 -28.12 66.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -95.23 -3.73 47.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 103.4 19.67 12.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.65 103.82 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.08 159.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.4 tpp85 -68.84 -30.22 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -67.22 -15.81 63.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -85.0 -7.22 59.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.8 mp -78.78 110.1 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.6 mp -104.86 114.3 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.41 130.79 41.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.857 0.36 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -154.63 -179.32 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.97 156.78 46.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.5 p -67.74 -11.89 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -53.08 -24.73 10.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.52 40.09 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -125.67 100.06 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.2 t30 55.96 47.01 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -100.02 141.74 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -129.69 103.87 7.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.56 -11.92 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -71.63 -17.53 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -83.78 -55.56 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 pt -54.95 -25.59 16.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -54.72 148.12 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.63 -170.0 13.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.547 ' N ' HE21 ' A' ' 63' ' ' GLN . 70.3 mt-10 -65.53 122.81 18.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -104.3 -176.28 3.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -162.25 141.13 9.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 m -88.78 99.64 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.7 mm -69.43 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.7 mm -139.51 149.85 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 tp -119.05 123.18 43.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.22 129.42 44.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.413 ' HB3' ' HA ' ' A' ' 135' ' ' LEU . 66.2 p -170.15 148.62 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 16.8 t0 -68.84 80.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.22 74.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.5 mmm-85 -54.71 -28.66 49.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -75.17 -6.04 47.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -100.58 -43.53 6.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.49 46.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -173.2 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -50.21 -42.26 51.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -118.85 68.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -106.41 -168.19 22.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -118.84 -28.8 5.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -90.44 -13.23 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 72.1 2.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.86 149.72 50.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.58 148.06 43.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.3 tp -89.5 153.59 20.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -108.86 -171.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.547 HE21 ' N ' ' A' ' 37' ' ' GLU . 5.4 tt0 -80.52 108.57 14.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 28.5 mt -71.34 140.62 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -107.82 134.73 50.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -90.66 119.33 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -109.3 -171.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -56.25 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -143.67 12.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.31 -179.05 4.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.62 114.61 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.6 t -81.03 114.42 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -117.63 135.44 53.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -118.99 152.5 36.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -130.36 177.54 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -131.31 129.1 41.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.889 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.26 178.95 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.3 p -140.95 117.15 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.5 mmt -121.2 165.01 16.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.4 p -150.0 117.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.31 113.74 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.8 169.36 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -76.8 163.12 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 p -144.96 -179.96 6.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.34 -7.49 58.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -73.09 179.86 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.31 100.55 9.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.44 27.02 64.31 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -131.86 109.5 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -87.48 159.17 18.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t -113.58 122.88 48.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.9 p -115.81 130.66 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.5 m -69.69 92.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.41 172.64 6.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -49.52 -27.52 4.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.53 162.46 27.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -49.41 121.58 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.01 170.22 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.44 126.43 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -99.15 130.78 45.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.7 p -136.92 175.7 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.5 mt -138.85 94.78 9.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.676 0.75 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.277 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.04 109.23 16.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.9 t -107.28 89.07 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.68 52.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.42 -33.39 2.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -50.24 -42.92 52.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -120.83 -69.01 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -138.62 131.76 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.4 tp -92.35 145.83 24.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.3 mtp -127.11 138.13 53.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.65 157.66 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -140.2 108.49 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 tt -119.38 138.77 52.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.3 mt -125.68 129.41 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -119.52 133.93 55.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -120.4 99.03 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -136.86 154.9 50.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.4 t0 62.02 27.28 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.89 5.52 70.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.525 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -128.95 149.33 50.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.015 0.436 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.1 t -139.62 159.96 40.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -150.45 154.23 37.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -91.12 109.46 20.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 45' ' ' SER . 3.3 tm? -97.86 140.33 32.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 1.5 mtp -146.17 113.94 6.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -104.81 116.33 5.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.4 tt -79.65 126.93 31.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -120.44 151.4 39.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -148.71 147.86 18.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -31.65 14.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 162.71 19.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.92 19.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -150.74 149.91 30.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 21.6 mt -115.86 141.37 48.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.6 t -67.59 179.1 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.3 m -78.76 -4.14 47.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -90.29 -33.03 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 87.3 mt -91.22 -45.85 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -53.67 -29.9 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -72.73 -31.53 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -59.37 -47.64 84.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -63.6 -22.78 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -80.86 -16.24 54.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -79.78 -28.18 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.64 -34.29 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 8.8 p -49.99 -31.96 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.63 -42.03 68.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -66.43 -16.46 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -98.47 7.67 45.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.15 -9.39 69.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 13.4 mt -84.17 103.28 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 111.185 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.5 150.07 3.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -22.98 65.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -78.26 -25.03 46.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -69.91 -10.81 59.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.38 118.79 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -103.95 112.29 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -81.06 126.17 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.821 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.872 0.368 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.35 -178.64 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p -129.79 157.95 40.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -7.79 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.2 p -50.97 -26.72 6.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.75 40.54 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.71 105.87 5.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.9 t30 63.0 39.63 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -100.0 140.49 34.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.85 95.65 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -77.52 -17.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -65.13 -15.1 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -88.16 -57.04 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.6 pt -52.79 -26.51 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -57.95 127.04 30.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.89 179.09 15.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -51.66 119.59 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -107.86 176.31 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -162.59 144.16 10.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.63 100.0 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 mm -66.0 -68.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.0 mm -139.94 147.04 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -118.34 128.01 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -134.05 127.44 32.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -163.23 149.26 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 17.0 t0 -68.98 81.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 165.78 79.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -56.3 -24.97 46.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -79.19 -7.32 58.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -100.1 -44.92 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.04 49.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.78 -169.51 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.47 -30.2 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.27 64.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -101.75 -168.44 27.44 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -115.66 -17.76 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -100.22 -7.51 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -73.33 -6.54 46.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.57 159.37 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -86.99 160.55 18.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.4 tp -101.22 151.25 22.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -109.13 -172.72 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -80.6 107.99 13.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mt -62.9 139.48 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -105.46 99.22 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 m -64.73 123.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.5 mt -110.63 -166.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -56.93 13.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -129.26 -19.52 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.9 m -108.65 -179.75 3.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.49 122.47 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.7 t -79.91 148.24 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -149.77 134.99 18.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 152.2 33.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -128.91 165.98 20.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -113.36 115.65 28.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.28 178.21 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t -129.86 128.97 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 17.8 mmt -125.3 159.41 31.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.2 t -150.1 104.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.55 124.58 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -118.53 152.08 36.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -66.92 152.05 46.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.1 p -137.04 173.39 11.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.94 -23.14 52.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -58.5 -176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.64 107.7 17.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.01 31.63 65.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -124.71 106.16 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.83 170.13 16.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.3 p -131.34 122.74 26.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.92 170.22 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.193 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.9 m -108.05 91.19 3.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.54 172.45 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -49.82 -26.83 4.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.46 161.47 26.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.525 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -50.38 124.03 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.1 169.44 23.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.59 133.58 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -103.06 138.13 40.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.4 p -143.51 175.49 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.0 mt -139.86 90.37 10.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.711 0.767 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -48.74 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.398 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.26 109.07 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 t -110.26 89.32 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.89 52.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -32.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -48.31 -45.0 34.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -121.09 -65.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -139.04 134.03 32.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.9 tp -91.82 147.1 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.2 mtm -128.21 135.8 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.92 169.35 12.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -150.19 109.87 4.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 tt -126.32 139.52 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.3 mt -127.0 133.27 68.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -120.94 131.94 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -118.35 99.93 7.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -143.96 156.39 44.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 62.19 31.77 17.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.09 18.12 66.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -144.97 148.15 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.1 t -140.01 159.23 42.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.76 158.54 44.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -94.06 107.84 19.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -89.98 137.7 32.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 7.9 mtt -139.48 109.69 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -106.67 109.72 3.15 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.6 tp -79.86 133.48 36.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -126.28 157.5 38.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.65 153.39 24.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -51.39 -28.36 12.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.05 163.1 17.7 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -6.49 18.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -150.93 149.17 29.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 28.6 mt -113.71 144.91 42.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.0 t -69.13 -179.79 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 p -79.11 -5.27 53.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.7 -33.48 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 94.2 mt -90.71 -44.17 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -53.26 -31.17 42.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.02 -31.45 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -65.14 -20.51 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -80.19 -45.91 17.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.87 -23.43 31.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -61.6 -59.62 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.0 tp -60.03 -31.16 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 78.0 m -57.27 -70.28 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -57.89 -24.25 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -76.83 -25.41 53.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -95.38 -6.55 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 107.79 11.05 25.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 40.0 mt -103.56 104.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.09 153.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 40.9 tpt85 -67.04 -23.69 65.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -72.88 -19.99 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -80.67 -9.54 59.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.76 109.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.2 mp -103.57 132.92 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.92 138.05 33.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -146.46 -179.4 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 t -130.56 161.72 30.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -6.64 46.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.9 p -53.8 -24.57 15.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.57 40.18 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -128.84 102.1 6.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.2 t30 52.88 49.77 19.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -100.08 143.22 30.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -129.74 107.48 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.0 p -89.95 -15.07 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.83 -12.09 61.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.809 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -89.67 -55.83 3.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.8 pt -54.18 -24.9 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -58.78 128.1 35.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.53 178.8 15.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -51.64 119.87 4.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 0.0 110.812 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -106.66 178.99 4.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -162.47 139.79 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.8 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.77 99.96 12.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.8 mm -65.91 -64.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mm -142.21 144.32 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tp -114.56 130.71 56.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -134.98 130.18 35.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 t -166.52 146.0 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 26.2 t0 -68.18 81.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.86 73.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -55.38 -29.08 57.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.08 -4.98 41.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -100.97 -50.39 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.38 42.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.65 -174.21 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.42 117.18 2.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 60.42 40.15 17.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.71 -144.63 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -124.92 -36.13 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -96.74 -8.4 31.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -75.47 67.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.69 155.5 29.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -83.35 132.9 34.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.1 tp -77.47 148.91 35.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.47 -170.28 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -79.7 107.22 12.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -61.84 139.4 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -104.92 99.28 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.4 m -64.99 121.17 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -110.56 -167.45 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -60.58 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -129.6 -16.1 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.2 m -109.79 -179.92 3.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.31 127.78 8.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -86.58 143.37 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -144.33 130.57 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -107.35 151.0 26.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -121.53 173.62 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -125.57 102.06 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.852 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.11 178.92 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.3 p -128.22 125.2 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.2 mmt -131.01 156.18 45.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.9 t -150.19 109.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.13 116.16 22.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.48 141.92 38.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -55.32 167.32 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.7 p -151.85 179.83 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.192 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -66.82 -21.31 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -59.3 177.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.2 105.96 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.65 32.89 82.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -134.36 109.39 8.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -80.14 170.1 16.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.81 113.3 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.8 t -96.76 145.96 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.227 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.8 m -95.81 92.68 6.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.32 173.02 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.39 -27.91 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.65 -90.02 0.73 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -158.64 135.56 9.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.434 HD21 ' N ' ' A' ' 107' ' ' ASN . 0.0 OUTLIER -161.05 170.52 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.03 123.44 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -99.45 138.03 37.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.6 p -143.62 177.83 8.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.1 mt -141.95 89.5 8.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 -32.07 18.96 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.28 108.44 9.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.1 t -106.43 89.27 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.62 48.68 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -42.96 -33.9 0.88 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -46.09 -46.03 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -122.43 -69.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.418 ' HA ' ' HA2' ' A' ' 140' ' ' GLY . 30.5 p90 -133.13 132.66 41.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 24.7 tp -93.25 151.64 19.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.5 mtt -128.56 141.5 51.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.22 132.37 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -115.98 108.03 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.7 tt -115.93 151.34 35.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.9 mt -137.6 138.68 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -122.16 118.65 29.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -112.71 100.54 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -146.8 156.53 43.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t70 63.53 26.77 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.791 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.64 5.82 69.71 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -129.42 147.09 51.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.3 t -143.27 160.69 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -153.53 149.83 28.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -93.67 110.48 22.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.6 tt -108.91 142.85 38.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 18.8 ttm -133.02 118.62 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -98.69 111.29 4.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.5 tp -84.74 130.71 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.833 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -125.5 157.11 37.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -146.41 154.48 25.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -53.93 -23.34 12.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.14 163.32 25.44 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.717 0.77 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -4.77 14.66 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.738 2.292 . . . . 0.0 112.314 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -149.04 140.04 22.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 17.7 mt -109.3 158.38 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.6 t -82.38 179.74 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.5 m -80.4 -6.11 57.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.38 -32.82 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.02 -44.15 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -28.83 35.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.0 -31.18 61.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -63.36 -21.16 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -80.35 -43.91 20.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.03 47.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -62.58 -56.36 18.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.72 -28.23 67.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 96.3 m -55.1 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.38 -29.82 67.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -68.48 -30.08 68.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -91.49 10.89 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.96 17.08 58.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 10.1 mt -111.37 99.52 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.145 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.16 160.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -72.38 -26.61 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.08 -13.21 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -90.69 -7.79 51.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.92 109.73 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.7 mp -102.57 134.1 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -87.95 137.53 32.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -170.05 -179.6 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -138.57 165.88 25.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -1.56 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.7 p -60.12 -18.4 47.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.68 40.16 1.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -133.08 100.18 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 t30 51.92 50.94 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -100.21 133.51 44.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -122.66 108.84 13.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 p -90.24 -13.08 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.76 -11.55 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -90.26 -54.19 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.5 pt -55.4 -25.61 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -57.79 127.59 32.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.36 -178.79 17.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.417 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -53.93 119.83 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -107.71 177.78 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -163.12 149.2 12.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.2 102.34 14.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.401 ' HB ' ' HG ' ' A' ' 138' ' ' LEU . 7.0 mm -73.02 -65.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.4 mm -138.3 147.38 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tp -120.54 122.52 40.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.988 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.47 132.34 46.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.3 p -170.35 148.8 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.9 p-10 -69.13 80.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.77 75.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -55.25 -27.66 47.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.98 -5.95 48.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 -44.27 5.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.5 45.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.059 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.99 -171.62 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -49.48 -57.39 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -107.45 49.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.56 -162.73 18.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -120.07 -29.34 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -95.2 -1.23 52.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.42 78.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.25 156.2 49.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -85.39 160.17 19.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.2 tp -102.4 150.5 23.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -109.1 -172.68 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -81.02 107.94 14.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -62.27 139.7 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.63 99.69 9.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.62 130.16 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.04 -167.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.14 -53.85 47.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -132.28 -20.09 2.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -108.31 -179.06 3.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.97 123.6 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 50.5 t -79.75 148.07 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -147.96 137.88 22.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.74 152.15 40.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -127.95 -172.79 2.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -132.79 110.14 10.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.9 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.35 178.21 4.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -137.75 148.7 45.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.2 mtt -145.3 170.24 16.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.5 t -139.36 99.31 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.43 116.93 20.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.89 164.19 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -79.37 152.34 30.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.4 p -135.5 173.07 12.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.31 -19.83 56.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -59.84 -172.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.04 106.82 17.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 51.96 33.07 35.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.515 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -120.99 107.05 12.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.901 0.382 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -79.55 170.01 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.952 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.06 126.25 39.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.91 170.43 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.8 m -104.56 91.27 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.231 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.29 171.82 7.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.94 -25.93 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.09 169.2 26.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -50.81 121.55 6.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.66 169.87 23.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.65 133.7 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -102.86 134.34 46.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.1 p -140.16 175.18 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.1 mt -137.01 94.93 12.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.13 108.59 14.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 t -107.42 90.31 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.68 52.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.12 -33.84 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -49.84 -42.77 48.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.07 -68.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -139.06 133.23 31.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.8 tp -91.91 150.32 21.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mtm -131.43 135.9 47.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -129.77 154.63 47.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -137.93 109.56 7.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.2 tt -120.95 137.54 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.72 133.68 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -124.02 121.64 35.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -111.02 101.73 10.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -143.31 158.82 43.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 58.14 34.26 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 65.55 14.72 60.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -137.67 148.0 45.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.6 t -142.29 160.25 40.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -154.39 154.57 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -93.56 109.25 20.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -96.26 139.2 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 3.5 mtm -140.18 116.74 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -108.31 109.89 2.98 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.401 ' HG ' ' HB ' ' A' ' 41' ' ' ILE . 2.6 tp -79.49 123.0 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -114.98 161.49 18.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -154.1 152.28 23.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -50.14 -31.67 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 2.5 mm-40 -108.03 160.12 28.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.2 Cg_endo -69.77 -6.47 18.69 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -147.15 138.47 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 30.9 mt -108.59 145.49 34.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -69.61 179.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.4 m -80.25 -5.4 56.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -90.6 -31.57 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 88.4 mt -91.08 -43.28 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -58.75 -27.82 65.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -74.18 -30.76 62.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -58.75 -45.76 88.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -61.73 -36.73 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.6 -17.61 63.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -80.42 -28.0 37.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 9.3 tp -90.85 -35.97 14.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 9.8 p -51.24 -33.3 27.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.0 -35.83 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.92 -26.24 65.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -90.71 7.23 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.2 -8.0 75.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.7 mt -82.48 101.84 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.891 0.377 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.13 151.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.993 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -62.38 -23.71 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -75.57 -25.33 57.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -70.76 -10.19 58.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.4 118.67 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -105.06 123.46 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -71.24 132.38 44.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -158.2 -179.09 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -130.78 155.79 46.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -72.26 -7.61 50.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.7 p -57.08 -20.43 25.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.95 40.11 1.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -128.27 99.75 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 t30 54.25 49.02 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -99.98 141.81 32.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -130.08 102.19 6.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -83.46 -19.23 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.64 -20.13 64.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -82.8 -57.43 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.4 pt -54.11 -25.79 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -55.22 143.09 28.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.85 -175.21 17.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.55 ' N ' HE21 ' A' ' 63' ' ' GLN . 15.3 pt-20 -57.39 132.76 54.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -116.53 -176.67 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -162.73 139.41 7.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.09 99.94 12.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 mm -69.09 -68.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.2 mm -138.44 149.26 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tp -124.57 119.6 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.94 135.83 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.8 t -171.11 143.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.525 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.2 t70 -69.33 81.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.4 61.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -39.6 -48.88 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -51.63 -41.72 61.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -69.16 -50.35 48.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.26 47.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.75 -173.59 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -48.83 -60.68 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -94.76 25.59 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.58 -170.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -117.8 -21.74 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -96.47 -4.29 41.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -75.05 72.05 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.07 149.86 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -81.32 159.82 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.1 tp -96.74 152.95 18.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -109.06 -172.21 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.55 HE21 ' N ' ' A' ' 37' ' ' GLU . 6.1 tt0 -79.93 107.96 13.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.1 mt -71.09 139.76 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -109.72 142.09 41.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.4 t -94.79 118.01 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.19 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -109.39 -170.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -56.66 7.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -144.75 13.29 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -127.13 -179.51 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.01 116.81 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.9 t -79.97 114.52 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -121.39 137.14 54.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -123.38 152.61 41.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -130.35 168.14 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -114.93 118.07 32.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.2 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.38 176.25 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.1 p -123.06 132.31 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.52 159.46 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.5 p -150.05 101.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.17 115.4 18.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.17 156.02 22.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -65.25 159.13 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.4 p -146.11 175.76 10.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.56 -24.11 44.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.11 178.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.36 112.35 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.76 25.27 65.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -125.15 104.52 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -80.16 170.04 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.78 127.21 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.9 m -109.18 170.36 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.4 m -103.08 92.25 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.11 173.2 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.11 -28.29 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -140.03 -152.05 5.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.522 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -84.39 125.58 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.97 164.09 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.56 131.33 20.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -98.82 135.96 39.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.2 p -140.8 173.62 11.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 60.5 mt -138.86 89.67 12.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -45.78 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.343 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.35 107.74 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.9 t -108.6 89.45 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.2 50.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -44.45 -32.7 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -47.84 -45.17 29.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -122.09 -68.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -135.59 132.65 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.2 tp -92.62 149.88 21.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.5 mtp -128.04 143.77 51.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.36 166.42 24.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.059 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -150.13 111.62 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.91 127.64 45.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.9 mt -113.96 140.27 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -127.73 146.4 50.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -133.31 99.42 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -146.32 160.74 41.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 63.95 20.14 12.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 77.71 20.71 73.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -150.16 154.03 37.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.401 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.2 t -141.72 160.24 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.6 151.85 30.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -91.49 107.12 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -97.87 139.37 33.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 9.7 mtp -139.13 118.39 12.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -103.47 110.35 3.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.551 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.5 tp -82.84 119.1 23.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -110.72 155.15 22.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -143.2 149.19 21.13 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.5 ptt-85 -50.05 -30.49 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.709 0.29 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.95 163.72 16.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -5.13 15.5 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.292 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -150.75 138.83 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 25.7 mt -108.64 149.42 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -74.92 -179.88 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 m -80.17 -4.1 51.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -90.78 -33.2 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 90.9 mt -90.87 -43.68 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -54.1 -28.2 37.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -76.28 -30.35 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -62.86 -23.54 67.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -79.92 -42.32 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.16 -21.86 48.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -63.98 -50.93 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.88 -24.43 59.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 92.1 m -59.47 -69.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -55.67 -30.66 61.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.66 -28.54 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.52 15.22 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.88 9.05 78.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 31.4 mt -106.84 97.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.34 166.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 5.1 tpp85 -73.64 -30.37 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -66.8 -13.28 61.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -90.35 -5.81 55.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.44 109.56 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 2.0 mp -101.45 125.49 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -84.47 128.84 34.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -162.91 -179.79 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 m -131.99 161.81 32.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -74.33 -6.69 49.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 p -53.55 -24.64 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.5 40.14 1.39 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -130.15 100.19 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.5 t30 56.74 47.42 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -100.16 142.85 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.46 107.46 9.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.28 -13.49 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.11 -15.73 63.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -86.54 -56.29 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.7 pt -54.65 -24.92 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -59.8 126.43 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.81 179.42 16.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -51.71 119.68 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -106.31 -178.94 3.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -162.7 144.87 10.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.6 m -93.87 99.68 12.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.4 mm -68.21 -68.1 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mm -138.89 149.57 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -122.63 115.46 22.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.39 129.8 53.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.4 t -168.22 149.36 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 5.0 t0 -68.81 81.69 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.8 74.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -56.14 -25.56 46.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.64 -5.14 52.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.73 -40.51 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.5 51.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -170.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.95 -31.32 28.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -130.91 66.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -102.31 -171.42 27.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.56 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -117.26 -27.99 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -88.81 -6.92 57.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -81.44 61.38 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.8 149.37 31.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -79.43 117.29 20.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.6 tp -58.75 152.77 18.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -109.33 -173.03 2.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -81.2 107.5 14.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.68 139.75 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -107.66 100.39 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.05 123.37 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.7 mt -111.42 -167.46 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -60.22 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -127.67 -18.21 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.7 m -109.3 -179.46 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.49 124.93 8.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -79.88 146.45 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.113 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -149.93 136.61 19.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -121.55 152.69 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -130.67 167.24 19.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -133.67 102.43 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.923 0.392 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.92 177.36 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.2 m -133.42 128.43 35.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.2 mtm -136.34 170.37 16.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.87 108.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.29 115.35 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -103.58 169.5 8.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -87.04 165.95 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.8 p -151.31 179.45 8.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -80.97 -1.11 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -70.19 -174.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.54 99.66 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 54.45 25.61 34.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.391 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -113.32 110.42 20.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -80.22 163.21 24.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.59 122.1 39.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.17 138.17 51.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.5 m -75.5 92.99 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.47 172.53 6.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.55 -26.43 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.03 167.81 28.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.547 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -49.74 117.47 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.83 170.25 22.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.58 125.88 10.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.063 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.83 132.48 45.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 p -134.07 174.64 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.1 mt -137.74 89.8 14.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.741 . . . . 0.0 111.167 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -49.13 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -112.51 107.67 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 t -108.14 89.16 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.01 50.75 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.08 -33.12 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.985 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -49.62 -43.47 46.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -121.99 -70.45 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -134.78 131.6 37.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.7 tp -93.3 148.89 21.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.7 mmm -131.29 141.25 49.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.26 144.63 40.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -123.11 117.71 26.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.8 tt -127.94 151.07 49.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.1 mt -139.99 136.32 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -126.99 125.96 42.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.772 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.59 99.82 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -139.11 155.18 48.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.58 31.64 18.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.84 9.93 60.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.548 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -133.81 149.16 51.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.903 0.383 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.7 t -139.48 160.09 40.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.59 149.06 30.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -90.41 107.2 19.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -98.17 139.95 33.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 15.0 mtt -143.99 111.6 6.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -99.24 116.74 5.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.4 tp -88.27 121.98 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -113.27 155.41 25.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -142.26 149.09 20.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -29.57 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.23 164.43 16.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.748 . . . . 0.0 110.846 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -4.45 13.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -147.38 136.95 22.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.0 mt -108.97 143.85 37.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -68.28 172.75 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.3 m -75.59 -5.7 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.65 -29.83 17.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 83.5 mt -90.96 -45.22 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.15 -30.94 39.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.13 -31.82 66.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -63.06 -26.66 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -75.49 -46.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.02 -29.07 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -60.9 -49.42 77.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.2 -27.07 65.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 60.8 m -65.9 -66.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -58.33 -22.55 53.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.86 -27.86 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -90.51 3.24 54.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 97.9 10.17 52.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.2 104.44 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.344 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.84 150.76 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -22.41 66.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -73.35 -20.51 60.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -80.81 -5.03 56.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.13 110.06 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.8 mp -101.62 121.2 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -91.59 127.63 37.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.414 ' O ' ' CD2' ' A' ' 170' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -152.86 -178.95 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 p -129.94 155.99 45.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 p -69.93 -10.15 57.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.5 p -54.84 -23.45 18.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.58 40.06 1.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -127.53 99.97 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 t30 58.54 43.78 18.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -99.6 142.0 31.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -130.13 97.11 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -78.09 -12.98 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.84 -20.42 63.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -81.44 -55.6 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.8 pt -55.79 -23.62 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -61.27 130.42 46.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.75 -178.76 16.84 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.429 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.548 ' N ' HE21 ' A' ' 63' ' ' GLN . 42.6 mt-10 -54.32 119.27 4.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.928 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -104.63 -176.59 3.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -162.84 148.65 12.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.0 m -96.09 99.37 11.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 mm -69.54 -69.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.2 mm -142.13 148.26 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tp -118.21 126.9 53.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.5 129.85 41.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.031 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.62 145.63 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 6.9 p-10 -68.29 81.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.21 72.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -54.57 -29.25 50.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.66 -6.3 47.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.13 -50.97 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.3 40.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -173.25 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -52.59 121.78 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.788 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 62.79 30.76 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.15 -158.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -121.51 -6.82 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -125.64 8.48 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.62 58.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.7 155.9 22.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -77.43 151.22 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.0 tp -95.79 151.27 19.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.73 -172.66 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.548 HE21 ' N ' ' A' ' 37' ' ' GLU . 8.6 tt0 -82.21 107.93 15.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.5 mt -61.46 139.48 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -108.2 102.6 11.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.1 t -66.28 112.93 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.191 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.0 mt -100.84 -168.67 1.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -55.58 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -141.27 10.19 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 m -129.27 -179.96 5.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.29 122.83 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.7 t -87.64 118.38 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -122.81 135.52 54.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -118.51 152.45 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -131.55 157.37 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -106.7 120.46 42.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.58 178.21 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.9 p -132.35 110.59 10.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.3 mmt -110.5 161.96 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 p -150.2 109.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.35 108.39 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -102.92 152.58 21.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -64.06 170.56 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 45.3 p -151.51 179.78 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -56.72 -25.89 55.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -71.56 166.81 21.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.87 102.19 10.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.33 -26.39 24.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -86.66 103.74 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -83.5 159.07 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.5 p -121.82 116.58 24.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.2 137.41 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 97.8 m -72.64 92.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.98 172.53 6.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -49.37 -26.83 3.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.26 163.35 28.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.566 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -49.69 120.17 4.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.28 168.52 27.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.17 125.29 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -98.9 130.24 45.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 p -136.57 173.92 11.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 55.7 mt -139.14 89.63 12.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 111.158 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -48.76 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.763 2.309 . . . . 0.0 112.301 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.97 108.89 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 t -112.08 89.53 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.8 52.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.06 -33.33 1.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -49.47 -43.95 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -121.02 -69.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -136.57 133.4 36.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.4 tp -91.51 150.61 21.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mtm -130.47 133.03 45.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -128.21 157.36 41.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -140.68 110.52 6.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.0 tt -124.39 130.03 51.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 31.8 mt -116.54 127.21 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -119.07 126.63 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.42 99.75 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -140.66 156.49 46.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t0 61.45 30.59 18.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 69.27 14.02 68.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -137.37 152.49 49.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.2 t -144.86 160.19 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -155.8 156.88 35.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -92.62 107.81 19.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -91.84 139.26 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 13.0 mtt -142.35 109.74 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -100.62 113.41 4.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.5 tt -79.9 125.88 30.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -125.37 137.0 54.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.34 154.52 20.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -51.08 -30.33 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.32 162.71 19.41 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.678 0.752 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.65 16.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.385 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.7 139.16 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 16.7 mt -108.86 152.39 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.7 t -73.96 177.63 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.07 -7.35 58.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.07 -30.94 17.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 88.5 mt -90.52 -44.71 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -53.79 -29.98 42.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.57 -30.09 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -60.51 -42.88 97.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -65.49 -43.06 91.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.63 -25.53 53.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.53 -55.61 29.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.29 -29.35 70.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 79.7 m -57.94 -66.58 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -56.71 -26.09 55.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -69.05 -35.54 76.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -86.75 -4.34 59.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 110.83 -6.57 29.42 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 56.0 mt -82.25 98.15 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.384 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.24 148.26 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -23.53 63.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -74.9 -26.11 59.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -72.46 -10.11 59.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.87 109.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -95.77 115.92 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -92.62 123.31 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.34 -179.69 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -130.68 159.47 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -8.56 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -55.89 -21.68 21.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.86 40.15 1.34 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.563 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -126.41 99.72 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.6 t30 51.57 49.16 21.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -100.08 142.22 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -130.29 92.44 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.22 -14.0 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.71 -7.07 52.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -90.47 -55.62 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.3 pt -53.67 -27.29 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -53.1 151.8 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.35 179.86 23.07 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -50.79 119.29 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -106.88 -176.84 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -162.9 148.46 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -100.08 99.83 10.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.407 ' HB ' ' HG ' ' A' ' 138' ' ' LEU . 6.8 mm -70.09 -68.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.2 mm -141.89 152.13 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tp -117.67 145.27 44.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -149.62 129.79 13.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.5 p -170.39 148.89 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 13.0 t70 -68.08 81.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.13 75.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -55.19 -28.05 50.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -76.26 -6.03 49.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 -45.66 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.93 45.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -172.09 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -51.45 -46.31 63.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -106.81 52.36 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.85 176.01 37.4 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.569 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.28 -19.5 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -93.88 -15.9 24.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -77.13 62.84 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.27 155.77 24.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -77.56 145.08 37.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.3 tp -90.26 150.44 21.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.66 -171.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -81.14 107.77 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 mt -64.72 140.87 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 99.92 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.8 m -67.54 110.59 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.1 mt -94.4 -167.76 1.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -53.94 -53.98 45.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.99 -19.38 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -107.86 -179.31 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.63 134.83 20.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.2 t -96.44 116.66 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -118.75 135.84 54.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -117.89 153.24 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -131.32 173.08 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -121.87 119.62 32.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.808 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.1 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.31 179.38 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -141.18 104.61 4.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.3 mmt -101.78 163.45 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 90.0 t -146.73 125.01 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.82 115.9 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -105.63 144.51 32.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -62.39 159.64 14.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 74.3 p -140.47 179.16 6.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -78.15 -4.07 45.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -72.59 -173.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.68 99.59 8.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.51 24.71 68.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -119.03 100.76 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -79.62 170.06 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.5 m -141.89 119.47 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.4 m -102.1 170.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.7 m -100.2 91.08 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.45 172.61 6.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.43 -26.9 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.79 165.45 27.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -50.0 122.74 7.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.799 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.79 169.23 24.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.7 134.06 28.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -104.53 138.77 40.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.4 p -146.08 175.1 10.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -138.93 89.06 13.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.595 0.712 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.297 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.26 108.63 16.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 t -108.33 89.18 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.68 50.89 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -45.61 -34.05 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -51.57 -39.26 57.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -121.41 -69.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -138.38 135.73 35.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -91.31 142.13 28.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.49 109.39 10.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.33 143.56 38.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -120.84 118.9 31.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.7 tt -132.21 126.7 34.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.5 mt -109.4 138.7 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.43 122.71 36.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -110.78 105.86 14.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -149.8 157.46 43.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 42.4 t0 62.98 31.61 16.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.35 13.01 64.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -140.55 153.87 46.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.0 t -143.06 159.96 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -152.94 156.57 39.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -94.12 109.43 21.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -98.17 138.6 35.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 8.0 mtp -144.55 112.89 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -100.6 113.34 4.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.449 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.407 ' HG ' ' HB ' ' A' ' 41' ' ' ILE . 9.1 tp -78.92 125.9 29.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.949 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -121.03 157.81 29.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -151.08 154.62 25.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -51.3 -28.31 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.11 162.53 20.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -6.08 17.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.0 141.83 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.7 mt -108.85 142.2 39.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.1 t -66.16 -180.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.7 m -80.52 -7.88 59.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.06 -31.33 17.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 92.2 mt -90.87 -44.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -53.17 -31.55 43.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.73 -31.73 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -63.06 -21.55 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -77.79 -46.06 22.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.41 -31.17 61.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.125 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.32 -44.62 96.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.65 -36.08 67.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 84.4 m -54.21 -69.21 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.06 -35.75 64.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.04 -33.77 76.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.63 -3.51 58.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 102.16 11.15 37.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 42.8 mt -103.69 105.2 17.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.44 149.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -69.65 -33.71 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -68.01 -11.65 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -86.51 -7.12 58.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.83 113.5 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.4 mp -101.08 113.96 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.48 118.24 19.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.86 0.362 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -153.79 -179.48 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 p -132.01 156.49 46.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -68.22 -11.81 59.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.7 p -56.23 -21.66 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 40.04 1.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -124.57 100.06 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.5 t30 54.59 46.7 24.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -100.0 140.52 34.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -129.91 95.73 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.27 -15.77 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.61 -30.88 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -56.02 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.2 pt -56.29 -21.74 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -62.71 126.7 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.61 -171.24 22.05 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.459 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -60.86 119.4 8.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -106.82 178.85 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -162.7 148.16 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.35 99.09 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 mm -65.33 -70.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.3 mm -142.93 146.63 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tp -117.28 126.15 52.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.05 129.19 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 p -171.34 151.18 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.3 t70 -68.55 81.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.94 75.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -55.02 -28.83 55.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.6 -7.11 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -100.68 -45.43 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.61 45.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -172.54 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -49.45 -52.28 30.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -115.09 57.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.15 -167.96 44.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.559 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -116.89 -13.85 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -109.65 2.26 20.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -82.93 4.9 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 pp -50.04 150.54 2.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.07 131.64 34.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.7 tp -74.22 149.33 40.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.33 -170.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -80.25 107.36 12.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 mt -62.0 132.81 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.419 ' HB3' ' HB ' ' A' ' 72' ' ' VAL . 48.2 t60 -106.05 99.16 8.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.7 t -54.23 139.73 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.3 mt -129.83 -167.98 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.64 -55.4 19.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.59 9.47 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 m -131.82 -179.59 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.57 121.6 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' A' ' 65' ' ' HIS . 18.8 t -80.63 111.54 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -122.23 133.47 54.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -112.85 151.56 30.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -121.11 167.51 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -120.82 99.89 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 -179.878 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.19 179.25 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.8 p -122.15 113.96 20.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.1 mmt -118.92 159.35 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.9 t -149.86 102.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.57 114.68 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.15 179.78 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.3 172.07 14.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.8 p -144.91 179.47 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.7 -24.89 59.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 175.24 9.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.81 107.11 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 105.19 -31.43 8.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.87 109.95 15.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -89.91 160.95 16.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 t -123.95 127.56 48.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 p -121.06 139.97 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.1 m -74.12 92.44 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.61 172.15 6.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -50.38 -26.62 5.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.96 169.05 28.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -50.02 118.66 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.377 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.41 167.4 30.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.54 130.38 13.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -107.88 142.94 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 p -142.72 177.41 8.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 37.5 mt -137.21 90.84 15.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.633 0.73 . . . . 0.0 111.176 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.75 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.35 108.09 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 t -105.96 88.08 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.75 51.54 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -44.82 -32.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -51.43 -42.59 61.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -121.14 -70.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -136.62 132.16 34.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.9 tp -94.11 147.81 22.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.8 mtt -125.36 147.09 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.93 133.96 24.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -115.87 115.04 25.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.7 tt -125.97 151.53 46.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mt -140.96 133.22 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -123.47 128.18 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -116.23 99.6 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -138.45 156.27 47.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.0 t0 62.67 24.22 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.15 1.69 80.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -125.97 155.07 41.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.4 t -144.16 159.49 42.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -150.48 152.37 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -90.2 108.51 19.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -94.86 139.51 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 6.0 mtt -138.35 113.79 9.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.977 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -104.06 109.81 3.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.443 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.4 tt -79.94 126.61 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -121.85 148.03 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.18 153.32 25.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -51.44 -27.99 11.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.704 0.288 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.17 162.29 22.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.69 0.757 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -6.03 17.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.284 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -150.17 139.29 21.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 24.0 mt -108.87 144.72 36.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 178.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.8 m -79.55 -4.59 52.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.94 -33.62 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 74.0 mt -90.57 -44.54 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -28.0 39.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.86 -30.03 58.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -62.95 -35.01 78.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -73.01 -39.61 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.63 -23.78 43.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -66.88 -51.94 49.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.39 -24.66 67.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 62.9 m -66.7 -67.57 0.44 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -55.59 -25.55 39.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.71 -26.1 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -94.19 0.68 55.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 102.39 0.86 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 31.7 mt -95.32 101.3 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.36 . . . . 0.0 111.199 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.44 148.25 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -22.2 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -74.45 -22.51 59.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -79.3 -4.63 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.55 109.6 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.79 130.09 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -84.89 136.82 33.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.49 -179.44 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -136.08 160.26 39.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.06 -8.06 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 p -59.08 -19.3 43.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.47 40.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -129.13 99.94 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.02 43.41 24.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -94.82 137.53 33.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -129.94 93.52 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.87 -11.97 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -73.16 -12.21 60.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -89.3 -53.16 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.2 pt -56.49 -22.67 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -60.67 126.71 28.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.84 179.63 16.36 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.566 ' N ' HE21 ' A' ' 63' ' ' GLN . 40.0 mt-10 -53.98 119.59 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -105.47 -178.78 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -163.0 144.7 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 m -93.59 99.74 12.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.408 ' HB ' ' HG ' ' A' ' 138' ' ' LEU . 8.3 mm -68.32 -68.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.5 mm -140.31 150.14 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tp -120.79 123.57 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.2 130.54 46.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.2 t -170.33 150.14 3.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.9 t0 -70.85 81.27 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.78 65.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -52.69 -33.75 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.58 -12.61 54.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 47' ' ' LYS . 3.5 ttpp -101.05 -34.03 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.29 42.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.13 -170.69 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -45.88 -49.65 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -107.55 47.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.42 -179.79 47.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -118.64 -20.91 8.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 110.809 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -103.8 -0.42 29.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -85.96 50.83 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.67 156.1 18.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.91 160.43 28.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.7 tp -103.6 151.39 22.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -171.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.566 HE21 ' N ' ' A' ' 37' ' ' GLU . 9.5 tt0 -81.13 107.47 13.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -63.58 139.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.08 99.84 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.26 101.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.8 mt -85.14 -166.39 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -54.96 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -131.29 -20.19 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m -108.35 -179.19 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.797 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.1 138.01 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -97.79 115.23 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -123.27 133.97 54.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -118.45 151.57 37.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -129.87 -173.97 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.958 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -149.55 106.04 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -124.17 -179.78 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.8 p -140.37 135.11 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.0 mmt -135.42 165.75 24.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.9 p -150.41 112.54 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.82 118.86 21.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.39 155.11 20.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -72.04 165.07 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.3 p -151.0 -179.9 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -78.43 -12.32 60.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -58.73 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.59 99.64 8.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.91 15.14 59.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -112.22 108.34 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -80.21 162.68 24.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 90.4 p -121.4 117.19 26.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 13.3 p -111.66 131.27 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.3 m -69.76 92.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -107.06 172.69 6.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.8 -27.56 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.45 161.71 27.67 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -49.54 119.57 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.67 169.97 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.63 126.27 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -99.09 128.25 45.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.9 p -133.16 174.86 9.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 40.7 mt -139.0 89.9 12.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 -48.81 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -112.55 107.97 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.7 t -110.51 89.57 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.72 51.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.78 -32.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.978 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -47.47 -45.66 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -122.32 -69.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -133.59 133.6 42.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.2 tp -92.62 150.69 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 7.3 mmm -132.87 136.46 46.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.03 163.6 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -143.27 114.29 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.4 tt -125.16 136.58 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.6 mt -125.15 130.4 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.037 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -121.1 128.28 52.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -114.09 99.54 7.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.93 157.02 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.68 24.22 14.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.22 1.15 79.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.558 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -126.6 155.71 42.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.4 t -140.94 158.49 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -147.96 153.08 38.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -93.29 109.98 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -98.83 135.16 40.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 3.4 mtp -140.21 112.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -102.5 117.22 5.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.408 ' HG ' ' HB ' ' A' ' 41' ' ' ILE . 3.5 tp -85.27 126.92 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -119.65 153.82 34.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.98 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -140.84 149.3 20.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -52.83 -24.08 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.411 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.0 OUTLIER -116.02 163.36 21.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.749 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.2 Cg_endo -69.79 -3.68 12.51 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.256 . . . . 0.0 112.362 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -150.41 139.17 20.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 17.2 mt -109.38 148.13 31.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.8 t -74.42 -179.85 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.0 m -81.13 -5.96 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -30.76 17.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 92.5 mt -90.84 -44.34 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -53.31 -31.17 42.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -71.74 -31.42 66.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -64.73 -19.83 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -82.93 -43.67 16.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.31 -25.29 33.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -63.04 -59.74 4.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.57 -28.58 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 91.4 m -58.2 -68.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.42 -25.94 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -73.16 -30.48 63.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -90.5 6.86 41.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.49 22.63 31.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.537 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.62 102.83 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 0.0 111.043 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.07 154.31 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 19.2 tpt85 -68.06 -23.54 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.65 -18.53 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -82.75 -9.57 59.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.77 109.79 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -101.13 112.95 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.13 121.69 24.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -160.38 -179.33 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -133.87 155.18 50.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 p -69.41 -11.11 60.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.8 p -54.58 -24.29 20.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.55 40.16 1.38 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -129.03 99.81 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 58.84 43.99 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -99.41 142.37 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -128.99 102.9 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -84.61 -12.21 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.48 -21.61 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -80.49 -55.11 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.2 pt -56.67 -22.48 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -61.88 125.45 23.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.72 179.66 16.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -51.43 119.64 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -106.13 -178.58 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -162.57 149.26 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.58 99.71 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.7 mm -67.84 -68.5 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.4 mm -139.07 146.09 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 tp -116.6 120.31 38.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.06 132.77 49.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.1 t -167.19 150.62 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.1 p-10 -69.52 81.5 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.68 73.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.9 mmm-85 -56.3 -26.68 52.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.61 -3.33 43.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.01 -50.68 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.5 40.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.97 -170.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.44 119.73 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 60.75 38.59 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.47 -160.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -118.9 -28.77 5.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -100.61 -11.13 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -74.79 71.48 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.78 156.18 35.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.31 150.67 29.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.3 tp -95.96 150.25 20.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.61 -172.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -81.62 108.18 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -62.22 139.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 100.84 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.2 t -65.18 106.09 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.6 mt -91.15 -167.97 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.89 -53.47 52.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -133.54 -17.13 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -109.04 -179.64 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.66 124.78 13.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.04 118.02 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -123.58 137.06 54.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -119.44 153.02 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -130.75 169.1 16.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -118.57 114.82 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.822 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.1 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 -179.904 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -110.79 173.18 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -122.18 131.4 53.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -133.62 166.84 21.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 p -150.49 103.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.97 103.45 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.45 170.68 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -85.63 166.14 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.5 p -150.42 166.6 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -18.02 58.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -58.32 -179.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.78 109.8 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 57.02 30.88 60.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -126.08 112.12 15.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -87.18 156.41 19.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.9 p -115.4 117.8 31.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.9 p -112.81 134.56 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 m -71.44 92.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -106.83 172.01 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -49.58 -26.77 3.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.61 163.67 28.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -49.82 117.3 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.28 170.29 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.73 123.91 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.56 128.98 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 p -134.07 176.37 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 24.6 mt -137.23 90.47 15.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.26 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.78 2.32 . . . . 0.0 112.323 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.03 108.34 17.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.7 t -110.89 89.59 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.187 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.54 52.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.69 -32.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -50.04 -43.82 51.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -120.86 -69.56 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -137.12 133.57 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.4 tp -91.69 149.15 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.1 mtm -131.77 138.01 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.67 154.7 49.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -134.38 117.42 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.4 tt -126.38 151.97 46.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.5 mt -141.66 127.14 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -119.73 125.35 48.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -111.03 99.87 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -138.51 157.04 46.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.19 29.02 18.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.09 7.16 66.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.554 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -132.11 152.76 51.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.5 158.33 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -148.36 151.47 35.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -93.08 106.48 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -92.88 139.93 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 15.1 ttm -140.2 116.1 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -109.8 112.38 3.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 12.5 tp -80.25 140.05 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -133.97 156.34 48.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.66 153.82 25.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -53.67 -26.6 23.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.78 162.86 18.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.754 0.788 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.6 18.96 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -152.86 149.71 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 33.3 mt -113.27 149.68 33.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.8 t -74.79 -179.79 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.3 m -78.68 -5.64 53.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.33 -33.33 16.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 89.8 mt -90.86 -44.77 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -31.3 43.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -70.81 -31.5 68.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -66.16 -21.47 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -80.72 -47.72 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.0 -25.42 29.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -57.23 -56.57 20.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 13.6 tp -66.84 -26.34 66.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 86.3 m -65.19 -68.64 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.47 -25.31 62.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.32 -23.65 60.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -100.52 10.1 41.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 100.03 -16.37 58.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 43.2 mt -77.2 92.11 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.11 169.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -36.54 83.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -60.88 -18.38 55.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -83.31 -12.51 56.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.27 109.58 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.9 mp -102.37 126.13 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -81.13 125.31 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.33 -178.42 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 p -129.37 163.55 25.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 p -72.83 -6.57 45.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.3 p -52.09 -24.19 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.24 40.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.33 121.89 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 39.48 44.21 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -100.1 131.97 45.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -120.67 108.65 14.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 p -89.31 -15.03 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.14 -11.38 60.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -90.1 -54.86 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.9 pt -54.52 -25.79 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.048 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -57.45 130.52 46.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.12 -178.45 17.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.91 119.35 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -105.69 179.64 4.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -161.81 147.06 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -92.59 99.46 12.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.0 mm -70.89 -69.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mm -140.28 148.5 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 tp -117.03 133.64 55.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -139.36 129.25 24.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' A' ' 135' ' ' LEU . 44.4 t -170.77 148.37 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 30.1 t0 -68.84 81.25 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.85 74.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 mmm-85 -55.02 -28.58 53.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.42 -5.07 43.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.51 -43.13 6.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.16 50.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -171.46 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -49.77 -37.9 31.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -122.76 68.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.83 -173.73 20.7 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.433 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -117.67 -25.77 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -90.36 -19.76 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -77.26 59.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.2 156.97 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.8 159.89 33.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.3 tp -107.46 153.3 23.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.51 -172.03 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -81.57 108.01 14.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -63.05 140.11 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -105.56 99.14 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.86 128.58 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.3 mt -116.82 -167.68 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -54.34 -53.21 56.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -133.28 -20.05 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.7 m -108.43 -179.68 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.05 122.82 5.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -79.83 147.73 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.67 131.07 15.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -107.43 152.83 23.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -131.83 172.24 12.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -118.61 126.55 52.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.812 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.1 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.931 0.395 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.95 176.59 5.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -134.43 111.89 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 25.5 mmt -107.45 164.58 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.2 p -150.38 116.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.5 116.69 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.2 160.13 20.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -69.08 152.49 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.1 p -140.16 177.14 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -57.17 -23.85 50.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -58.18 179.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.03 106.89 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.42 32.54 83.36 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -128.41 116.38 19.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -79.32 169.37 18.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.6 p -131.36 117.77 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.9 m -110.93 170.44 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.0 m -111.42 91.45 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.41 173.12 6.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -48.25 -28.1 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.58 162.18 26.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -49.78 122.66 6.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.51 166.26 31.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.09 137.15 34.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -102.26 138.79 38.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.1 p -146.43 174.06 11.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 12.3 mt -136.87 95.54 12.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.695 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -47.49 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.308 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.31 108.92 16.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.4 t -106.87 88.35 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -112.87 52.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -32.58 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.85 -44.17 49.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -121.06 -70.23 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -134.85 132.84 39.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.4 tp -92.17 148.46 22.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.7 ttm -125.09 147.32 49.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.6 161.89 35.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -149.94 106.67 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.7 tt -120.8 124.59 45.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 64.3 mt -107.16 133.43 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -125.72 123.0 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -108.98 103.4 12.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 156.05 41.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.08 33.93 11.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.74 11.89 58.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -139.21 152.55 47.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.41 158.41 44.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -155.31 155.36 33.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -102.36 107.08 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.413 ' HA ' ' HB2' ' A' ' 45' ' ' SER . 3.2 tm? -89.35 140.36 29.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 53.3 mtm -138.48 108.97 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -98.0 116.74 5.62 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.511 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.4 tt -79.64 125.21 29.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -120.19 155.35 33.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.43 157.49 27.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -47.19 -53.36 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.422 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 2.0 mt-10 -93.17 161.01 32.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.2 Cg_endo -69.89 -5.87 17.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.31 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -140.03 132.92 29.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 23.4 mt -108.51 138.42 44.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -62.78 175.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.3 m -77.1 -9.13 58.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -86.92 -32.37 20.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 83.4 mt -90.94 -47.47 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -31.15 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -71.11 -28.51 64.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -59.97 -42.76 94.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -66.4 -25.45 66.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -76.62 -16.17 59.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -78.83 -28.53 44.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.0 tp -91.27 -36.3 13.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 9.3 p -49.87 -33.54 17.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.38 -40.37 67.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -70.92 -10.81 60.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -104.95 5.89 33.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.16 -19.21 47.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 25.7 mt -74.74 99.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 111.074 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.68 148.25 4.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.3 mmm-85 -59.51 -22.53 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -78.03 -25.71 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -70.54 -11.04 60.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.29 113.91 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -99.73 114.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -89.08 122.44 32.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.45 -178.68 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.34 160.83 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -9.77 58.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.6 p -58.25 -20.25 40.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.34 40.16 1.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.45 100.3 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 51.83 48.38 22.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -99.88 139.56 35.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -130.04 105.18 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -85.08 -14.52 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.49 -12.7 61.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -89.66 -57.15 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.5 pt -52.5 -27.44 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -55.95 148.02 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.32 -167.98 12.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' N ' HE21 ' A' ' 63' ' ' GLN . 49.9 mt-10 -64.35 120.03 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 110.833 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -103.84 -178.07 3.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -162.88 144.27 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.44 99.6 11.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.8 mm -68.59 -68.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.5 mm -140.65 146.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tp -118.98 141.04 49.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.99 133.38 20.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -170.89 147.99 2.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 52.6 t0 -67.64 80.33 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.17 77.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -54.74 -28.62 49.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -75.3 -6.36 49.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.52 -41.92 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.1 47.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.69 -172.58 2.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.39 -40.29 49.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -119.31 69.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.61 -172.05 19.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.548 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -115.29 -28.65 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -91.97 -11.75 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -83.74 67.0 9.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.1 154.13 43.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.65 133.18 42.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.1 tp -77.88 152.54 33.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -109.51 -171.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.431 HE21 ' N ' ' A' ' 37' ' ' GLU . 4.1 tt0 -80.32 108.55 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.5 mt -70.17 136.02 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.16 136.73 41.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -95.48 118.39 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -108.29 -170.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.87 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -139.79 10.21 2.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -124.41 179.06 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.86 116.45 6.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.42 118.72 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -122.84 135.03 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -118.94 152.08 36.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -130.44 175.59 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -129.89 115.1 16.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 -179.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.67 -179.63 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -132.7 105.39 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.7 mmt -107.71 161.44 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.1 p -150.26 116.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.97 112.28 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.56 165.59 11.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -76.42 167.46 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.5 p -150.27 -179.65 7.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -81.82 -0.08 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -77.78 -176.6 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.87 115.07 29.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 52.66 31.53 37.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -132.15 104.74 6.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.75 161.76 24.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 t -120.89 121.55 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.3 p -112.95 132.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.6 m -69.37 92.19 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.83 172.97 6.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.05 -26.62 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.938 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.96 163.99 28.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.432 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -49.67 121.38 5.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.13 169.16 24.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.66 127.28 19.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -99.56 131.08 45.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.9 p -136.14 177.89 7.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 37.6 mt -139.94 97.36 7.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.614 0.721 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.17 109.1 14.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.5 t -102.7 88.71 3.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.83 50.19 0.94 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.55 -33.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -47.21 -45.6 23.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -122.11 -69.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.405 ' HA ' ' HA2' ' A' ' 140' ' ' GLY . 33.0 p90 -132.84 131.16 40.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 19.9 tp -92.58 150.23 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 ttt -126.71 135.93 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -135.89 143.78 45.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -128.69 110.7 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.796 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 tt -120.45 140.57 51.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.0 mt -127.13 131.47 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -122.63 132.7 54.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -119.78 99.55 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -136.6 157.39 46.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 59.86 24.32 13.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.33 0.44 78.07 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.418 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -122.87 153.16 40.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -143.79 159.08 43.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -149.95 154.23 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -91.9 109.25 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.8 140.43 31.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -145.86 109.56 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -100.25 120.36 6.85 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.0 tp -89.86 118.93 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -111.58 157.92 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -147.47 148.61 20.33 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.574 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -30.26 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.505 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.2 mm-40 -110.53 160.62 27.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.737 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.4 Cg_endo -69.74 -4.66 14.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -147.52 136.54 22.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 23.3 mt -108.74 143.37 37.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.0 t -69.08 176.41 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 m -77.84 -4.23 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -32.68 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 93.0 mt -90.59 -45.87 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -54.99 -29.37 56.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -74.44 -30.48 61.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -57.24 -41.58 79.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.813 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -67.43 -39.57 85.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.82 -20.1 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.02 -24.5 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 41.6 tp -90.16 -36.17 14.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 13.6 p -57.97 -35.99 71.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -70.95 -30.98 67.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -74.36 -27.03 60.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -91.22 6.62 44.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.26 -19.98 43.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 19.2 mt -69.9 99.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.976 0.417 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.07 147.55 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.74 -18.19 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.797 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -82.62 -11.16 58.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -88.55 -8.55 54.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.75 113.88 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -98.64 135.49 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -75.67 134.01 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -157.47 -179.15 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 p -130.02 154.11 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -11.48 59.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.0 p -53.86 -23.9 14.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.59 40.22 1.37 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -125.98 99.9 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.0 t30 56.67 46.25 20.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -100.1 141.41 32.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -128.2 96.83 4.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -79.7 -15.07 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -68.8 -11.62 60.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.78 -55.34 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.8 pt -55.13 -24.4 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -58.76 130.08 45.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.52 -178.82 16.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.54 119.67 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -106.82 179.34 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.24 143.14 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.51 99.73 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.135 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.404 ' HB ' ' HG ' ' A' ' 138' ' ' LEU . 6.8 mm -68.08 -68.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.2 mm -138.33 147.6 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tp -120.17 132.18 55.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.82 129.91 31.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 86.8 p -162.46 148.06 12.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 18.1 t0 -68.93 80.12 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.73 74.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -54.84 -29.81 56.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.5 -6.37 46.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -50.2 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.0 40.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.4 -173.66 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -50.49 121.94 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 60.41 35.45 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.63 -160.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -118.79 -28.82 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -96.98 -16.38 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.47 78.39 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.16 154.43 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.84 159.41 28.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.7 tp -102.8 152.14 21.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -108.72 -172.78 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -81.2 108.26 14.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -64.19 139.73 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -105.66 99.62 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.6 m -65.48 122.35 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.3 mt -109.86 -167.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -58.67 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -127.54 -19.2 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -108.75 -179.4 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.49 122.8 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.97 148.34 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -149.66 134.76 18.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -114.93 151.82 33.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -128.78 172.48 11.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -124.64 114.58 19.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.153 -179.904 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.913 0.387 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.38 -179.45 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.4 p -127.52 128.7 46.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 17.9 mmt -129.1 157.25 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 p -150.31 100.4 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.59 124.29 30.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -122.4 164.67 17.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.24 155.6 39.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.3 p -142.04 171.35 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -57.64 -23.57 51.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -60.46 178.58 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.2 108.52 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.62 29.01 73.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.551 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -127.98 105.37 8.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -79.61 169.98 17.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.74 127.82 37.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -116.92 170.45 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.8 m -104.01 91.65 4.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.08 172.39 6.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -50.34 -26.42 4.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.93 169.5 27.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -49.88 120.93 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.52 170.61 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.7 135.21 20.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -104.84 135.97 45.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.6 p -142.21 176.66 8.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.6 mt -138.96 95.46 9.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.67 -48.64 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 108.96 15.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.3 t -105.5 88.43 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.08 51.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.65 -33.17 1.72 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -51.54 -42.29 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -120.64 -70.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -137.2 131.21 32.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.3 tp -92.38 150.29 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 4.8 mmm -129.86 131.03 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.99 138.07 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -120.37 112.93 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 tt -126.82 133.41 50.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.0 mt -117.81 135.26 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.49 119.13 33.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -111.34 99.77 8.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -147.6 159.87 43.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 63.94 34.71 11.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.25 19.35 63.97 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -149.32 157.15 43.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.8 t -144.42 159.94 41.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -147.58 152.23 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -95.59 117.47 30.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.9 tt -116.1 137.51 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.11 108.98 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -90.29 120.64 5.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.404 ' HG ' ' HB ' ' A' ' 41' ' ' ILE . 3.7 tp -93.19 121.33 34.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -114.2 160.09 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.76 150.29 22.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -50.32 -31.02 13.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 0.0 110.816 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.71 161.23 23.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.557 0.694 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -6.62 19.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.297 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -149.2 142.11 24.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 24.9 mt -108.95 141.2 41.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.2 t -65.47 179.64 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.5 m -79.26 -6.04 55.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.07 -32.62 17.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 84.8 mt -90.74 -47.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -31.05 43.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.84 -31.48 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -57.59 -44.22 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -65.1 -37.31 87.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.53 -18.41 64.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -81.17 -24.6 37.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 13.6 tp -90.31 -39.37 12.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 13.7 p -52.88 -34.59 55.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -70.94 -30.57 66.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -76.09 -24.4 55.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -93.26 6.65 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.31 -17.22 55.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.2 mt -73.0 99.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 148.34 3.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.6 tpt85 -58.57 -22.39 55.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.4 -25.62 54.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -71.49 -9.73 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.87 122.41 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.4 mp -112.33 114.92 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -71.24 131.91 44.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.906 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -170.29 -178.82 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -132.0 156.68 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -10.59 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.2 p -54.28 -24.55 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.5 40.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -127.41 100.28 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 t30 56.1 47.44 19.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -100.1 141.99 32.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -127.77 107.12 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 p -89.61 -12.69 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -71.56 -14.9 62.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -86.01 -55.61 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.0 pt -54.74 -25.08 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -56.87 142.08 42.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.14 -174.74 15.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' N ' HE21 ' A' ' 63' ' ' GLN . 1.2 mm-40 -56.4 124.29 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -109.4 -177.68 3.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -162.79 144.4 10.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 99.53 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.0 mm -67.2 -67.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.0 mm -139.53 145.81 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 tp -118.26 119.82 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -123.64 129.79 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.414 ' HB3' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -165.3 144.21 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.1 p30 -67.94 81.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.1 71.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -54.09 -30.57 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -72.96 -7.54 51.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.97 -50.41 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.89 40.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.63 -173.18 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.56 119.97 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 67.86 29.55 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.24 -163.52 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.7 -22.45 8.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -108.47 -14.82 14.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.92 60.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.89 149.57 39.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.5 159.54 33.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.9 tp -103.09 151.76 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.64 -171.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.413 HE21 ' N ' ' A' ' 37' ' ' GLU . 5.1 tt0 -80.82 108.21 14.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 mt -66.17 140.26 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -105.87 126.72 52.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.1 t -86.12 118.19 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -104.17 -175.54 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -48.02 -53.95 14.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -140.53 6.85 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.0 m -125.6 -179.65 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -147.23 121.78 9.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.5 t -89.08 115.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -115.4 134.44 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.66 152.85 33.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -129.92 -173.38 3.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -143.01 122.27 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.933 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.88 0.372 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.32 178.56 4.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 p -141.71 116.12 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.6 mmt -125.2 164.98 19.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.2 p -150.28 119.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.9 110.61 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.82 152.1 23.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -62.2 167.29 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.3 p -150.71 -179.81 7.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -78.21 -6.19 54.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -75.75 178.0 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.99 116.9 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.45 22.12 50.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.403 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -127.08 103.37 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -82.52 159.96 22.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.5 t -119.24 124.17 46.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.4 p -115.32 128.09 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.3 m -64.5 92.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.41 172.87 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.59 -27.46 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.01 164.18 27.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.523 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -49.73 120.95 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.27 169.93 23.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.97 126.9 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -99.41 131.04 45.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.4 p -136.89 175.15 9.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 47.7 mt -139.0 96.61 9.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.66 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.22 . . . . 0.0 112.365 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.98 109.19 15.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.0 t -104.57 89.1 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.52 50.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.51 -33.36 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -47.33 -45.56 24.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.776 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -121.87 -69.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -133.72 131.0 38.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.0 tp -92.7 150.75 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 ttt -126.8 136.45 52.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.72 140.73 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -126.7 112.41 15.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.8 tt -122.36 139.33 53.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.6 mt -125.62 131.63 71.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -121.8 133.67 54.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -120.55 99.72 6.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -137.41 156.43 48.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 60.47 28.06 17.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.25 6.21 68.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -129.32 151.19 50.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.982 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.6 t -141.98 160.11 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -150.96 152.73 33.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -89.75 108.25 19.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.414 ' HA ' ' HB3' ' A' ' 45' ' ' SER . 3.3 tm? -97.12 139.64 32.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 4.7 ttm -144.81 114.19 7.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -105.44 109.55 3.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.0 tp -80.56 120.58 24.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -112.89 156.2 23.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -144.97 151.27 23.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -53.52 -24.01 12.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.66 164.35 18.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -4.5 14.18 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.289 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -149.23 146.36 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 17.3 mt -112.83 149.3 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.2 t -76.07 163.25 27.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.6 m -62.71 -15.89 54.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.53 -32.77 28.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.0 -48.24 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -53.3 -31.28 43.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.56 -32.06 69.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -58.55 -35.34 72.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -70.35 -28.33 65.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -77.21 -18.01 58.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -80.21 -25.98 39.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 53.1 tp -91.12 -37.76 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 11.9 p -51.76 -35.27 43.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -72.04 -33.89 68.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.05 -14.76 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -102.01 7.83 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.19 -10.21 69.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 60.3 mt -82.12 99.35 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.183 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.71 148.76 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -59.61 -21.58 60.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.9 -21.5 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -78.11 -4.47 47.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.5 mp -75.66 117.14 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -107.09 126.02 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.39 129.64 36.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.09 -179.53 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -130.95 160.02 35.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -68.39 -12.01 60.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p -55.78 -22.79 26.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.179 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.42 40.0 1.42 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -124.47 99.8 6.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.3 38.96 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -95.58 132.31 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -122.75 96.56 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.43 -16.1 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -66.23 -18.18 65.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -85.23 -57.37 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.0 pt -53.52 -26.28 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -55.34 148.57 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.76 -171.27 14.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.56 120.07 11.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -101.42 -177.06 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -162.19 142.72 10.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 99.11 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 mm -66.87 -68.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.2 mm -141.06 148.07 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 tp -119.11 127.82 53.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.05 129.61 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.417 ' HB2' ' HA ' ' A' ' 135' ' ' LEU . 33.1 t -171.41 149.6 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 21.4 t0 -69.65 81.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 169.19 65.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -43.01 -48.1 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -51.89 -38.99 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -47.59 70.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.83 51.64 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -176.54 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -52.21 -30.32 26.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -131.39 65.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.96 -165.09 19.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -119.1 -30.62 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -86.92 -14.18 42.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.71 59.52 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.53 153.59 33.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -73.5 147.22 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.6 tp -94.16 150.41 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.54 -171.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -78.71 126.48 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -79.75 139.07 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -104.2 99.39 9.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.29 121.31 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.0 mt -109.78 -168.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -52.88 -53.08 54.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -134.75 -20.12 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 m -108.23 -179.11 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.87 127.23 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.0 t -82.74 148.08 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.041 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.11 137.23 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -117.75 151.87 36.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -129.52 170.22 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -118.17 128.35 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.875 0.369 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.52 177.53 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.5 p -130.12 135.87 48.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 15.2 mmt -138.16 157.26 46.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 p -149.94 113.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.4 100.87 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -93.86 141.77 28.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.8 163.53 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.7 p -148.54 179.87 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.06 -18.21 59.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -61.0 -171.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.06 99.73 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.3 25.77 67.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -118.08 117.15 28.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -79.78 170.34 16.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.2 p -126.1 94.61 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.92 148.68 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.4 m -99.99 93.19 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.93 173.05 6.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -48.39 -29.37 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.64 -91.54 1.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -160.22 133.27 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.39 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.42 HD21 ' N ' ' A' ' 107' ' ' ASN . 0.0 OUTLIER -160.94 166.9 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.0 128.52 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -98.37 141.75 30.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.7 p -146.12 177.84 8.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 73.1 mt -141.04 91.04 9.08 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -48.45 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -117.64 108.48 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 t -104.35 89.62 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.85 50.82 0.99 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -44.45 -34.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.45 -42.29 54.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -120.46 -70.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -139.23 132.44 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.3 tp -92.97 147.45 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 47.5 mmm -125.48 137.35 53.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -135.96 141.07 44.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -125.2 103.9 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 tt -114.17 130.53 56.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.3 mt -112.64 140.31 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -129.69 126.0 37.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.94 108.0 15.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -157.5 157.47 33.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.9 t70 65.43 27.75 11.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.09 10.4 73.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -139.43 148.66 43.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -138.84 159.98 40.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.7 159.44 38.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -104.34 106.72 17.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 45' ' ' SER . 3.2 tm? -90.15 139.86 30.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 17.4 mtt -135.6 108.84 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -99.88 117.56 5.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.56 125.14 29.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -119.01 149.86 40.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -147.81 153.89 25.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -50.74 -30.25 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.14 161.37 25.39 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -6.08 17.74 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.35 139.12 26.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 17.8 mt -109.17 147.0 33.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.4 t -69.78 179.97 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.9 m -81.47 -6.64 59.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.26 -31.49 16.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 92.6 mt -90.42 -44.37 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -53.79 -30.91 46.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.07 -30.37 63.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -61.55 -36.19 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -71.74 -41.77 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.02 -25.51 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -65.58 -51.86 56.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.25 -28.82 70.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 73.2 m -57.95 -70.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.81 -28.59 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -75.66 -21.82 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -102.38 7.89 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 97.52 -11.64 64.93 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 22.9 mt -84.28 97.86 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.917 0.389 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.81 148.76 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -58.84 -25.12 62.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -74.46 -20.35 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -83.18 2.09 37.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.12 109.6 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 2.1 mp -99.98 129.59 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.08 136.51 33.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.851 0.358 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -153.79 -178.87 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -128.86 156.01 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 p -68.79 -10.63 57.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p -51.44 -26.46 8.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.197 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.63 40.02 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.575 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -131.33 100.67 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 t30 63.4 41.41 7.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -99.91 143.0 30.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -130.12 95.54 3.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 p -78.93 -9.31 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.38 -11.11 59.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -89.34 -52.78 4.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.2 pt -55.91 -23.48 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -61.13 129.18 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.01 179.21 15.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.547 ' N ' HE21 ' A' ' 63' ' ' GLN . 62.3 mt-10 -51.73 119.84 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -106.18 -178.89 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -163.03 144.17 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -95.04 99.93 11.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.3 mm -68.54 -68.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.7 mm -140.36 153.5 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tp -119.99 133.15 55.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.95 131.75 31.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' A' ' 135' ' ' LEU . 63.6 p -170.32 147.96 3.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 17.2 t0 -68.11 80.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.19 74.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.5 mmm-85 -55.1 -28.45 52.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -75.24 -6.28 48.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -100.51 -46.81 5.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -100.58 44.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.38 -169.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.45 -56.48 6.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -100.78 58.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.93 176.3 37.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -118.25 -18.76 9.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -98.3 -19.71 17.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.8 ttp85 -76.15 67.43 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.806 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.34 154.05 35.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.97 155.84 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.3 tp -102.88 152.1 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.7 -172.56 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.547 HE21 ' N ' ' A' ' 37' ' ' GLU . 8.7 tt0 -82.08 108.35 15.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -61.63 139.2 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.38 100.47 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.63 108.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.6 mt -94.68 -168.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -56.28 13.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -137.73 7.83 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 m -126.99 -178.94 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.04 118.77 7.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.1 t -86.0 119.49 34.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.66 135.39 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.83 153.04 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -132.21 169.16 16.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -124.17 128.36 49.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.8 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.92 178.94 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 p -139.49 123.39 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.5 mmt -128.83 158.99 37.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 83.4 t -147.37 115.81 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.74 117.07 25.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -105.66 162.01 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -71.65 164.56 25.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 48.6 p -150.81 -179.62 7.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -82.47 0.67 41.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -174.17 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.78 99.1 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.38 14.36 53.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.533 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -109.75 107.51 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -80.02 160.82 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.5 p -120.43 116.32 25.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.804 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.94 135.4 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.5 m -73.0 92.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.08 172.67 6.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -49.35 -26.87 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.96 163.09 28.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.552 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -49.84 119.19 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.86 165.5 36.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.39 126.74 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -98.71 129.42 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.2 p -135.71 175.82 9.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.6 mt -140.88 92.71 8.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.702 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -48.86 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.04 108.8 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 t -107.07 88.63 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.74 49.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -43.94 -31.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -44.59 -49.54 10.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -123.14 -64.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -132.21 130.34 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 17.5 tp -93.27 147.98 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.5 mtm -126.2 137.98 53.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.9 160.12 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -142.65 109.3 5.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.8 132.82 55.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.4 mt -118.76 131.98 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -122.96 128.68 50.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -115.45 99.19 7.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -138.47 154.92 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 63.36 23.25 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.69 1.35 83.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -125.02 149.51 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.61 159.79 41.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.174 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -153.33 157.44 40.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -95.49 109.65 21.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.403 ' HA ' ' HB3' ' A' ' 45' ' ' SER . 3.2 tm? -95.78 140.28 30.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.08 112.23 6.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -104.03 112.35 4.12 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.406 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tp -79.76 132.79 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -127.19 157.22 40.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -148.99 152.97 24.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.427 ' HG2' ' HG2' ' A' ' 142' ' ' GLU . 0.1 OUTLIER -55.97 -23.77 34.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.427 ' HG2' ' HG2' ' A' ' 141' ' ' ARG . 0.8 OUTLIER -106.93 162.63 19.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.3 Cg_endo -69.81 -4.78 14.75 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -159.03 147.84 18.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 46.7 mt -108.98 157.82 18.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.0 t -85.86 -179.6 6.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.3 t -77.03 -4.7 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.7 -36.8 14.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 91.7 mt -91.09 -43.32 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -27.75 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.95 -30.86 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -60.24 -31.09 69.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -68.9 -37.35 78.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.46 83.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -50.59 -31.07 14.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.5 tp -91.98 -26.48 18.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.6 -37.92 89.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.61 -25.65 57.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -79.15 -33.15 44.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -84.17 0.31 49.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 98.92 -20.36 50.64 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 47.9 mt -67.13 96.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.088 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.22 147.7 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -61.25 -18.94 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -79.42 -13.43 59.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -85.9 -9.29 57.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.01 113.74 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.5 mp -105.87 111.87 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -84.76 116.66 23.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.3 ptp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.47 126.1 1.1 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t -140.04 -179.99 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 t -160.21 160.64 32.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -139.19 -175.6 4.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -133.78 174.68 10.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -103.15 -173.31 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -137.47 -179.69 5.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -124.95 175.86 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -129.36 174.47 9.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.9 mm -118.82 146.51 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.39 -25.14 12.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.03 175.02 14.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.524 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.86 115.12 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -137.59 147.65 45.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.64 179.72 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -164.2 -179.48 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -136.49 166.61 23.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -72.78 -8.06 53.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.8 p -54.25 -25.11 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.31 39.88 1.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -128.16 99.9 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.6 t30 55.92 48.51 17.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -99.15 135.07 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -123.83 110.57 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.17 -13.71 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -70.62 -14.16 62.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -87.52 -55.45 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.1 pt -54.58 -25.14 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -58.5 127.3 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.31 -175.64 19.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.65 119.99 7.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.796 0.332 . . . . 0.0 110.926 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -108.24 176.75 5.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -163.05 146.96 11.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.44 102.54 14.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.8 mm -70.39 -67.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -136.86 144.34 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -113.41 119.15 36.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.83 130.0 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.5 t -168.65 146.84 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.839 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 9.1 p30 -68.69 81.41 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.52 71.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -54.67 -30.3 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -73.71 -6.43 46.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.67 -49.85 4.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.87 40.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -173.93 2.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -51.01 118.66 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 60.06 41.93 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.3 -144.96 0.26 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -124.55 -36.7 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -94.66 -7.7 40.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -74.78 72.65 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.83 155.75 43.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.45 156.78 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.2 tp -102.8 150.67 23.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.97 -172.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -80.85 108.0 14.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.44 139.89 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.177 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -106.33 99.42 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.22 127.15 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 mt -115.15 -167.37 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.17 -53.59 51.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.81 -20.51 2.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.3 m -108.15 -179.29 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.84 124.18 6.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 51.2 t -79.76 146.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -149.35 135.54 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -117.57 152.69 34.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -129.96 171.09 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -116.58 112.32 21.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.7 p -131.56 139.29 49.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 m -91.25 160.59 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -150.34 122.68 8.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 59.61 46.31 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 59.57 36.46 22.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.979 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -142.4 125.18 15.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 63.9 m -54.33 147.84 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.86 -179.92 4.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.06 147.46 22.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.29 174.83 5.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.8 p -124.42 132.2 53.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -132.94 168.78 17.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.6 t -150.29 100.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.19 117.59 20.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -114.14 178.7 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -90.28 169.7 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.9 p -151.45 179.93 7.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.174 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.66 -19.77 65.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -58.54 -177.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.14 104.05 12.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.22 30.65 78.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -126.86 109.83 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 110.958 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -80.63 159.48 25.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 76.6 p -119.36 115.53 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.51 135.76 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.6 m -72.97 92.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.84 172.7 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -48.62 -28.15 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.77 164.27 27.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -49.74 118.85 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.54 169.45 24.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.55 125.41 16.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -99.11 128.14 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 p -135.23 -179.92 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.8 mt -139.21 95.5 9.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -48.87 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.748 2.299 . . . . 0.0 112.353 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.25 108.38 15.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 t -107.02 89.62 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.2 52.85 0.78 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.65 -32.92 1.63 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.28 -43.77 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -120.59 -70.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -136.69 133.5 36.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.4 tp -91.65 150.71 21.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.4 mtm -132.09 136.12 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -131.37 152.31 50.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -134.14 111.97 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.0 tt -122.18 138.54 54.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.5 mt -126.88 130.88 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -121.69 127.06 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -114.55 100.09 8.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.45 153.64 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 61.26 33.37 19.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.99 11.51 58.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -133.85 146.44 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -138.42 160.09 40.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.28 151.18 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.32 107.67 19.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -97.82 139.84 33.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 20.0 mtp -144.06 115.34 7.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -105.56 111.94 3.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.6 tp -79.67 128.32 33.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -120.94 159.04 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.59 152.82 24.44 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -50.77 -30.04 13.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.33 161.74 22.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.84 19.54 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -147.46 141.2 25.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 25.6 mt -108.81 144.99 35.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.8 t -68.67 -179.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.5 m -80.36 -6.97 58.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -31.21 17.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 91.9 mt -90.88 -45.04 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -56.0 -27.96 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -74.97 -30.27 61.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -57.56 -45.7 84.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -63.43 -38.85 92.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.78 -18.27 54.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -80.79 -26.56 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.6 tt -90.72 -35.88 14.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 11.1 p -54.25 -34.39 60.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -73.04 -25.65 61.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.83 -31.01 56.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -87.27 5.54 37.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.28 -10.64 73.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 29.5 mt -77.96 99.49 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.782 0.325 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.16 148.65 2.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -21.54 62.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -75.93 -25.16 55.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -72.55 -9.41 58.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.32 118.4 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -106.1 126.52 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -78.86 132.37 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.65 -31.42 9.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 18.7 p -57.23 -23.73 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.81 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -99.27 -24.97 14.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -104.17 113.23 26.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.013 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -149.46 120.27 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -172.72 161.26 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 7.7 t -127.5 32.1 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 78.1 mt -150.78 160.95 43.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -111.46 46.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -86.12 137.11 32.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.68 173.58 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.1 ttm . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.802 0.335 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.71 148.34 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.54 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -121.44 178.56 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.802 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.2 m 59.35 42.78 17.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -108.95 179.84 4.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.5 t60 62.59 50.5 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -58.81 175.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.801 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -131.17 -175.25 3.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -124.87 157.77 35.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -158.19 145.03 17.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -132.29 150.41 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -132.76 -176.11 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.34 150.34 46.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -147.54 178.14 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.39 169.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -179.96 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.66 -179.34 7.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 p -133.31 156.36 47.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 p -69.71 -10.74 59.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.4 p -53.92 -24.28 15.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.59 40.09 1.38 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -129.12 99.93 5.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 t30 59.68 43.79 15.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -97.86 142.36 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.05 95.99 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.78 -12.17 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.23 -22.3 62.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -79.24 -53.6 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.5 pt -58.86 -20.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -63.14 125.85 25.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.83 -177.3 18.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.553 ' N ' HE21 ' A' ' 63' ' ' GLN . 56.4 mt-10 -56.02 119.74 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.857 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -105.58 -178.66 3.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -162.5 148.2 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.0 m -93.53 99.51 11.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 mm -68.88 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.0 mm -139.17 150.49 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -122.03 111.85 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.27 130.44 55.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.052 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.408 ' HB3' ' HA ' ' A' ' 135' ' ' LEU . 37.1 p -168.88 149.68 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.1 p30 -68.88 80.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.48 73.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.29 -28.3 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.07 -5.59 47.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 -47.33 4.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -100.53 44.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -170.4 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -48.87 -58.72 4.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -96.06 40.28 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.1 176.36 37.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -117.95 -16.34 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -101.51 -13.44 17.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.2 72.34 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.75 157.27 26.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -86.22 126.94 34.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.7 tp -73.4 152.27 40.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.45 -171.54 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.553 HE21 ' N ' ' A' ' 37' ' ' GLU . 9.1 tt0 -81.4 107.8 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 mt -62.84 138.22 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -108.59 101.76 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.7 t -63.99 109.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.3 mt -99.23 -167.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -58.58 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.66 10.94 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -131.05 -179.8 5.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.96 127.01 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.5 t -90.93 113.64 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -122.75 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -111.9 152.18 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -121.79 167.8 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -120.25 106.61 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.803 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.2 p -122.79 147.05 46.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -104.4 161.15 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -148.94 121.41 8.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 59.06 45.78 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 59.86 36.16 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -130.42 140.13 50.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 32.9 m -73.35 132.51 43.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 t -157.07 175.71 13.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -160.27 144.91 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.76 179.97 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -132.01 122.98 26.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.6 mmt -123.65 164.21 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 66.1 t -149.27 109.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.44 109.66 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.44 147.54 26.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -52.6 170.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.5 p -143.8 -179.6 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.46 -21.52 65.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -85.08 172.03 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.16 98.95 8.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.66 -24.63 13.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.542 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -91.84 107.99 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -89.09 159.0 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.3 p -121.3 118.36 29.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.0 p -108.94 129.94 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.5 m -64.99 91.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.31 172.18 6.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -50.77 -26.31 5.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.53 162.28 27.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -50.18 119.36 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.65 168.29 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.79 123.47 15.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -99.84 129.98 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.9 p -135.2 174.88 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.19 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.2 mt -136.81 90.29 16.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 111.162 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -49.08 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.743 2.295 . . . . 0.0 112.279 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.71 108.51 17.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.7 t -110.66 89.75 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.76 52.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -44.13 -33.11 1.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -49.44 -44.36 45.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -120.99 -69.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -136.39 132.73 35.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.1 tp -92.03 147.37 23.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 mtm -127.62 140.78 51.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.88 152.12 51.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -132.79 114.7 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.91 151.98 44.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.9 mt -141.16 125.51 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -117.81 125.76 51.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -112.06 100.47 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -138.67 157.04 46.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 60.18 28.68 18.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.67 6.69 67.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -130.06 153.11 48.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.966 0.412 . . . . 0.0 110.826 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -142.91 158.12 43.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.196 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -150.2 152.44 34.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -91.38 109.1 20.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 45' ' ' SER . 3.2 tm? -97.15 139.91 32.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 27.6 mtp -143.03 115.46 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -105.09 116.02 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.4 tt -79.57 127.6 32.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -121.46 148.1 44.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.15 151.96 24.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -50.84 -31.17 16.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -108.06 161.44 23.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -6.45 18.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -147.25 139.43 24.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 18.1 mt -108.98 147.39 32.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.1 t -70.52 177.62 3.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.0 m -79.49 -5.11 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -90.6 -31.72 16.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 84.7 mt -90.66 -44.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -53.92 -30.32 45.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.43 -30.32 63.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -62.37 -37.71 86.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -71.05 -37.48 72.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.44 -21.86 62.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.93 -52.93 37.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.92 -26.02 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.85 -70.22 0.19 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.54 -27.39 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.11 -28.99 63.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -93.42 -4.26 51.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 107.66 3.55 34.7 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 45.6 mt -98.18 96.39 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.38 159.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -66.79 -29.76 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -66.82 -13.68 61.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -89.37 -8.43 53.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.15 109.38 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.6 mp -100.13 109.41 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -87.5 125.64 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.54 23.3 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 5.3 m -55.68 -28.79 57.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -99.57 26.05 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -142.26 110.15 5.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -140.52 31.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 23.7 mtp85 -112.73 171.78 7.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 46.6 m -73.01 -49.9 26.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 36.7 mt -107.61 -173.16 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -119.15 142.76 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -74.22 169.18 18.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -122.89 150.94 42.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.14 115.02 0.63 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -94.4 169.66 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.816 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.6 m -93.62 156.37 16.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -155.84 176.11 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -109.24 108.62 19.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -147.63 -176.03 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -56.32 177.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -153.52 116.84 4.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -173.15 165.46 4.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -88.06 144.24 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -123.45 -36.02 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.7 -132.72 1.42 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.476 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -97.22 130.93 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -139.45 170.1 16.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.13 179.42 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -170.29 -179.34 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -137.5 164.19 29.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 p -69.85 -9.97 56.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 p -53.08 -25.99 14.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 40.26 1.37 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -133.72 102.1 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.12 39.22 10.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -98.56 131.97 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -125.48 96.4 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.23 -15.68 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.4 -18.58 65.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -83.9 -53.75 5.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.2 pt -58.14 -21.19 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -60.79 125.54 24.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.18 177.7 15.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.479 ' N ' HE21 ' A' ' 63' ' ' GLN . 24.0 mt-10 -51.18 119.64 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -105.15 178.89 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -162.64 144.5 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.823 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.76 99.84 12.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 mm -67.49 -66.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.8 mm -140.14 144.14 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 tp -114.66 137.75 51.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -141.95 129.88 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.402 ' HB3' ' HA ' ' A' ' 135' ' ' LEU . 94.5 p -164.26 147.72 9.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 44.7 t0 -68.66 79.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.5 77.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.2 mmm-85 -55.25 -27.72 48.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -75.89 -5.67 47.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 -44.4 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.31 46.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.1 -171.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -49.13 -52.18 27.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -105.74 56.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.26 178.93 38.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -116.83 -20.56 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.02 -12.33 36.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -72.82 77.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.87 154.62 40.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.17 131.15 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.9 tp -72.06 152.06 42.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -109.03 -173.29 2.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.479 HE21 ' N ' ' A' ' 37' ' ' GLU . 9.8 tt0 -80.54 107.86 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.4 mt -62.99 138.23 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -108.28 101.2 10.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.8 t -62.51 116.24 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.7 mt -107.47 -167.78 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.57 -55.35 11.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -144.23 13.31 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 m -132.52 179.6 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.99 122.51 9.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.6 t -86.6 112.69 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -121.5 131.7 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -111.92 151.23 29.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -120.17 161.96 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -112.1 104.21 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.5 p -118.96 153.69 34.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.52 122.94 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -111.36 121.17 44.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 63.86 44.42 4.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 59.41 24.32 12.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.41 140.36 48.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.3 m -50.06 146.81 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.73 178.72 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -160.5 143.46 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.64 -179.79 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -125.65 113.1 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.0 mmt -115.44 146.39 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.1 p -137.36 116.83 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.57 112.72 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.042 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -112.09 152.72 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -56.68 163.85 1.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.3 p -149.47 177.82 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -60.26 -24.09 64.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -65.71 172.71 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.08 110.15 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.64 20.2 78.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -126.89 105.11 8.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -79.71 169.76 17.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.9 p -131.21 130.96 43.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.03 170.29 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.0 m -103.42 91.55 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.5 171.7 7.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.04 -26.22 5.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.26 169.8 26.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -50.68 121.73 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.55 170.43 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.45 138.98 21.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -107.26 138.03 44.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.0 p -143.82 173.06 12.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 52.8 mt -137.81 90.06 14.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -48.6 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.31 108.59 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 t -109.69 88.67 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.83 52.39 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.65 -33.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -51.72 -41.94 61.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -120.62 -70.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -138.0 132.9 32.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.0 tp -93.25 148.51 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.5 136.0 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -128.55 144.2 51.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -123.98 111.51 16.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.1 tt -128.31 126.99 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.8 mt -116.46 139.86 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -126.52 121.81 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -109.15 99.88 9.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -144.17 160.39 41.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.8 t0 63.45 34.13 13.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.67 18.58 64.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -148.64 160.26 43.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.1 t -145.81 159.63 42.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -148.91 151.96 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.824 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -94.13 121.9 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 45' ' ' SER . 4.4 tt -120.6 139.21 53.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 1.6 mtm -136.99 109.35 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -90.74 113.69 4.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.4 tp -82.86 130.21 35.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -122.95 160.04 27.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -151.78 153.12 24.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.566 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -50.73 -28.7 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.12 162.37 23.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.681 0.753 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -5.94 17.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.41 138.78 29.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.8 mt -108.87 145.43 35.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.8 t -66.97 167.9 10.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.44 ' HA ' ' HG2' ' A' ' 150' ' ' LYS . 7.9 t -71.85 -9.7 58.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -25.67 20.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 75.4 mt -90.88 -47.23 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.44 ' HG2' ' HA ' ' A' ' 147' ' ' SER . 2.7 ptpp? -53.64 -29.86 40.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -70.2 -32.04 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -67.42 -19.83 65.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -80.2 -43.09 22.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.85 -25.35 56.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -65.33 -54.55 27.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 14.7 tp -63.06 -26.45 68.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 93.6 m -61.81 -66.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -60.33 -35.44 75.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.32 -28.12 66.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -95.23 -3.73 47.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 103.4 19.67 12.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.65 103.82 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.08 159.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 3.4 tpp85 -68.84 -30.22 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -67.22 -15.81 63.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -85.0 -7.22 59.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.8 mp -78.78 110.1 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.6 mp -104.86 114.3 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -72.41 130.79 41.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.49 -21.0 15.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 18.3 t -51.86 -32.51 32.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -115.29 26.09 10.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -139.08 120.52 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -174.58 139.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -164.12 152.45 12.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 49.2 t -113.15 -28.65 7.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 4.3 pp -175.46 168.83 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -127.95 137.15 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -67.14 159.91 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.33 157.05 45.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.822 0.344 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.57 -165.75 24.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -136.03 179.39 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -112.37 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -120.04 139.59 52.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -159.14 178.74 9.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.4 m170 62.19 60.16 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -61.25 175.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -94.45 -175.14 3.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -130.69 -172.57 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.1 mm -111.68 147.97 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.6 -174.83 2.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.26 -148.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -102.61 123.23 45.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.767 0.318 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -138.88 170.03 16.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.6 -179.96 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -154.63 -179.32 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.97 156.78 46.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.5 p -67.74 -11.89 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -53.08 -24.73 10.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.52 40.09 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -125.67 100.06 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.2 t30 55.96 47.01 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -100.02 141.74 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -129.69 103.87 7.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.56 -11.92 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -71.63 -17.53 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -83.78 -55.56 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.8 pt -54.95 -25.59 16.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -54.72 148.12 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.63 -170.0 13.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.547 ' N ' HE21 ' A' ' 63' ' ' GLN . 70.3 mt-10 -65.53 122.81 18.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -104.3 -176.28 3.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -162.25 141.13 9.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 m -88.78 99.64 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.7 mm -69.43 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.7 mm -139.51 149.85 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 tp -119.05 123.18 43.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.22 129.42 44.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.413 ' HB3' ' HA ' ' A' ' 135' ' ' LEU . 66.2 p -170.15 148.62 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 16.8 t0 -68.84 80.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.22 74.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.5 mmm-85 -54.71 -28.66 49.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -75.17 -6.04 47.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -100.58 -43.53 6.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.49 46.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -173.2 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -50.21 -42.26 51.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -118.85 68.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -106.41 -168.19 22.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -118.84 -28.8 5.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -90.44 -13.23 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 72.1 2.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.86 149.72 50.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.58 148.06 43.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.3 tp -89.5 153.59 20.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -108.86 -171.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.547 HE21 ' N ' ' A' ' 37' ' ' GLU . 5.4 tt0 -80.52 108.57 14.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 28.5 mt -71.34 140.62 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -107.82 134.73 50.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -90.66 119.33 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -109.3 -171.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -56.25 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -143.67 12.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.31 -179.05 4.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.62 114.61 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.6 t -81.03 114.42 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -117.63 135.44 53.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -118.99 152.5 36.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -130.36 177.54 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -131.31 129.1 41.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.9 p -150.36 152.92 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -104.61 161.02 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -149.32 125.11 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 58.39 45.52 16.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 58.62 36.21 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -139.69 128.87 23.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 27.9 m -55.14 145.41 21.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.37 -179.81 7.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -160.41 138.32 9.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.26 178.95 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.3 p -140.95 117.15 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.5 mmt -121.2 165.01 16.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.4 p -150.0 117.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.31 113.74 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.8 169.36 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -76.8 163.12 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 p -144.96 -179.96 6.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.34 -7.49 58.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -73.09 179.86 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.31 100.55 9.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.44 27.02 64.31 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -131.86 109.5 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -87.48 159.17 18.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t -113.58 122.88 48.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.9 p -115.81 130.66 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.5 m -69.69 92.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.41 172.64 6.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -49.52 -27.52 4.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.53 162.46 27.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -49.41 121.58 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.01 170.22 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.44 126.43 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -99.15 130.78 45.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.7 p -136.92 175.7 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.5 mt -138.85 94.78 9.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.676 0.75 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.277 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.04 109.23 16.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.9 t -107.28 89.07 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.68 52.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.42 -33.39 2.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -50.24 -42.92 52.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -120.83 -69.01 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -138.62 131.76 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.4 tp -92.35 145.83 24.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.3 mtp -127.11 138.13 53.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.65 157.66 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -140.2 108.49 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 tt -119.38 138.77 52.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.3 mt -125.68 129.41 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -119.52 133.93 55.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -120.4 99.03 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -136.86 154.9 50.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.4 t0 62.02 27.28 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.89 5.52 70.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.525 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -128.95 149.33 50.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.015 0.436 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.1 t -139.62 159.96 40.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -150.45 154.23 37.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -91.12 109.46 20.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 45' ' ' SER . 3.3 tm? -97.86 140.33 32.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 1.5 mtp -146.17 113.94 6.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -104.81 116.33 5.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.4 tt -79.65 126.93 31.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -120.44 151.4 39.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -148.71 147.86 18.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -31.65 14.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 162.71 19.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.92 19.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -150.74 149.91 30.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 21.6 mt -115.86 141.37 48.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.6 t -67.59 179.1 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.3 m -78.76 -4.14 47.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -90.29 -33.03 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 87.3 mt -91.22 -45.85 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -53.67 -29.9 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -72.73 -31.53 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -59.37 -47.64 84.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -63.6 -22.78 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -80.86 -16.24 54.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -79.78 -28.18 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.64 -34.29 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 8.8 p -49.99 -31.96 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.63 -42.03 68.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -66.43 -16.46 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -98.47 7.67 45.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.15 -9.39 69.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 13.4 mt -84.17 103.28 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 111.185 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.5 150.07 3.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -22.98 65.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -78.26 -25.03 46.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -69.91 -10.81 59.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.38 118.79 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -103.95 112.29 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -81.06 126.17 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.821 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.75 25.17 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 4.0 m -62.16 -25.98 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -118.42 29.3 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -137.22 122.86 19.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -174.32 103.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.4 154.78 51.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 11.1 t -113.16 -48.0 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.57 176.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.53 146.87 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -78.92 169.04 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.39 161.76 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.6 mtt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.771 0.32 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.06 175.69 29.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.1 p -124.6 174.12 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 t -75.8 109.28 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -145.89 -178.99 6.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -97.48 170.39 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -53.63 172.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -146.99 116.01 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -96.57 -169.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -86.24 116.64 24.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mp -138.07 152.58 26.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -94.96 -32.72 13.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.24 -92.12 1.05 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -133.68 172.44 12.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.824 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -139.69 170.28 16.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -179.53 1.72 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.35 -178.64 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p -129.79 157.95 40.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -7.79 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.2 p -50.97 -26.72 6.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.75 40.54 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.71 105.87 5.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.9 t30 63.0 39.63 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -100.0 140.49 34.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.85 95.65 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -77.52 -17.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.074 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -65.13 -15.1 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -88.16 -57.04 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.6 pt -52.79 -26.51 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -57.95 127.04 30.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.89 179.09 15.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -51.66 119.59 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -107.86 176.31 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -162.59 144.16 10.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.63 100.0 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 mm -66.0 -68.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.0 mm -139.94 147.04 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -118.34 128.01 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -134.05 127.44 32.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -163.23 149.26 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 17.0 t0 -68.98 81.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 165.78 79.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -56.3 -24.97 46.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -79.19 -7.32 58.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -100.1 -44.92 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.04 49.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.78 -169.51 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.47 -30.2 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.27 64.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -101.75 -168.44 27.44 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -115.66 -17.76 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -100.22 -7.51 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -73.33 -6.54 46.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.57 159.37 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -86.99 160.55 18.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.4 tp -101.22 151.25 22.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -109.13 -172.72 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -80.6 107.99 13.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mt -62.9 139.48 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -105.46 99.22 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.8 m -64.73 123.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.5 mt -110.63 -166.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -56.93 13.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -129.26 -19.52 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.9 m -108.65 -179.75 3.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.49 122.47 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.7 t -79.91 148.24 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -149.77 134.99 18.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 152.2 33.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -128.91 165.98 20.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -113.36 115.65 28.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.1 p -138.51 142.48 39.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -93.68 161.14 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -148.45 120.28 8.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 59.53 47.69 10.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 59.46 35.1 22.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -140.41 121.7 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 73.1 m -51.63 147.72 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.54 -179.47 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -156.19 138.14 14.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.28 178.21 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t -129.86 128.97 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 17.8 mmt -125.3 159.41 31.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.2 t -150.1 104.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.55 124.58 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -118.53 152.08 36.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -66.92 152.05 46.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.1 p -137.04 173.39 11.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.94 -23.14 52.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -58.5 -176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.64 107.7 17.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.01 31.63 65.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -124.71 106.16 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.83 170.13 16.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.3 p -131.34 122.74 26.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.92 170.22 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.193 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.9 m -108.05 91.19 3.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.54 172.45 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -49.82 -26.83 4.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.46 161.47 26.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.525 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -50.38 124.03 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.1 169.44 23.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.59 133.58 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -103.06 138.13 40.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.4 p -143.51 175.49 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.0 mt -139.86 90.37 10.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.711 0.767 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -48.74 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.398 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.26 109.07 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 t -110.26 89.32 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.89 52.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -32.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -48.31 -45.0 34.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -121.09 -65.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -139.04 134.03 32.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.9 tp -91.82 147.1 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.2 mtm -128.21 135.8 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.92 169.35 12.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -150.19 109.87 4.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 tt -126.32 139.52 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.3 mt -127.0 133.27 68.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -120.94 131.94 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -118.35 99.93 7.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -143.96 156.39 44.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 62.19 31.77 17.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.09 18.12 66.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -144.97 148.15 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.1 t -140.01 159.23 42.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.76 158.54 44.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -94.06 107.84 19.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -89.98 137.7 32.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 7.9 mtt -139.48 109.69 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -106.67 109.72 3.15 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.6 tp -79.86 133.48 36.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -126.28 157.5 38.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.65 153.39 24.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -51.39 -28.36 12.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.05 163.1 17.7 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -6.49 18.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -150.93 149.17 29.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 28.6 mt -113.71 144.91 42.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.0 t -69.13 -179.79 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 p -79.11 -5.27 53.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.7 -33.48 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 94.2 mt -90.71 -44.17 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -53.26 -31.17 42.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.02 -31.45 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -65.14 -20.51 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -80.19 -45.91 17.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.87 -23.43 31.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -61.6 -59.62 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.0 tp -60.03 -31.16 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 78.0 m -57.27 -70.28 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -57.89 -24.25 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -76.83 -25.41 53.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -95.38 -6.55 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 107.79 11.05 25.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 40.0 mt -103.56 104.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.09 153.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 40.9 tpt85 -67.04 -23.69 65.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -72.88 -19.99 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -80.67 -9.54 59.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.76 109.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.2 mp -103.57 132.92 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.92 138.05 33.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -110.89 -27.39 8.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -30.0 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -114.95 29.61 7.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -135.03 111.81 10.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -179.47 136.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.16 -62.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.9 t 63.25 27.27 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 59.1 mt -120.37 -70.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -155.58 143.61 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -90.03 170.1 10.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -122.48 149.12 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.17 125.44 1.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 p -115.1 176.65 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.806 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 m -137.72 177.93 7.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -168.86 171.24 8.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -78.55 173.82 12.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -111.6 -74.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -174.2 -175.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -63.62 174.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -157.61 115.03 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.2 mm -134.84 150.79 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.18 -174.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.02 -42.59 1.41 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 80.6 mtm-85 -79.62 154.73 28.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.71 0.291 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -58.56 170.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.41 -179.8 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -146.46 -179.4 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 t -130.56 161.72 30.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -6.64 46.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.9 p -53.8 -24.57 15.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.57 40.18 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -128.84 102.1 6.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.2 t30 52.88 49.77 19.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -100.08 143.22 30.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -129.74 107.48 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.0 p -89.95 -15.07 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.83 -12.09 61.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.809 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -89.67 -55.83 3.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.8 pt -54.18 -24.9 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -58.78 128.1 35.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.53 178.8 15.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -51.64 119.87 4.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 0.0 110.812 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -106.66 178.99 4.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -162.47 139.79 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.8 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.77 99.96 12.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.8 mm -65.91 -64.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.6 mm -142.21 144.32 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tp -114.56 130.71 56.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -134.98 130.18 35.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 t -166.52 146.0 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 26.2 t0 -68.18 81.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.86 73.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -55.38 -29.08 57.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.08 -4.98 41.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -100.97 -50.39 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.38 42.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.65 -174.21 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.42 117.18 2.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 60.42 40.15 17.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.71 -144.63 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -124.92 -36.13 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -96.74 -8.4 31.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -75.47 67.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.69 155.5 29.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -83.35 132.9 34.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.1 tp -77.47 148.91 35.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.47 -170.28 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -79.7 107.22 12.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -61.84 139.4 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -104.92 99.28 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.4 m -64.99 121.17 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -110.56 -167.45 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -60.58 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -129.6 -16.1 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.2 m -109.79 -179.92 3.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.31 127.78 8.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -86.58 143.37 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -144.33 130.57 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -107.35 151.0 26.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -121.53 173.62 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -125.57 102.06 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.1 p -119.19 148.37 43.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 m -105.21 158.53 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.45 120.95 7.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 t70 63.48 44.86 5.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 61.8 25.01 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -125.58 145.4 50.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 93.0 m -73.45 144.19 46.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.43 -179.52 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.26 143.76 13.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.11 178.92 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.3 p -128.22 125.2 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.2 mmt -131.01 156.18 45.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.9 t -150.19 109.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.13 116.16 22.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.48 141.92 38.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -55.32 167.32 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.7 p -151.85 179.83 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.192 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -66.82 -21.31 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -59.3 177.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.2 105.96 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.65 32.89 82.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -134.36 109.39 8.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -80.14 170.1 16.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.81 113.3 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.8 t -96.76 145.96 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.227 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.8 m -95.81 92.68 6.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.32 173.02 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.39 -27.91 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.65 -90.02 0.73 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -158.64 135.56 9.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.434 HD21 ' N ' ' A' ' 107' ' ' ASN . 0.0 OUTLIER -161.05 170.52 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.03 123.44 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -99.45 138.03 37.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.6 p -143.62 177.83 8.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.1 mt -141.95 89.5 8.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 -32.07 18.96 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.28 108.44 9.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.1 t -106.43 89.27 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.62 48.68 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -42.96 -33.9 0.88 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -46.09 -46.03 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -122.43 -69.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.418 ' HA ' ' HA2' ' A' ' 140' ' ' GLY . 30.5 p90 -133.13 132.66 41.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 24.7 tp -93.25 151.64 19.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.5 mtt -128.56 141.5 51.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.22 132.37 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -115.98 108.03 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.7 tt -115.93 151.34 35.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.9 mt -137.6 138.68 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -122.16 118.65 29.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -112.71 100.54 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -146.8 156.53 43.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t70 63.53 26.77 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.791 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.64 5.82 69.71 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -129.42 147.09 51.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.3 t -143.27 160.69 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -153.53 149.83 28.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -93.67 110.48 22.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.6 tt -108.91 142.85 38.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 18.8 ttm -133.02 118.62 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -98.69 111.29 4.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.5 tp -84.74 130.71 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.833 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -125.5 157.11 37.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -146.41 154.48 25.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -53.93 -23.34 12.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.14 163.32 25.44 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.717 0.77 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -4.77 14.66 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.738 2.292 . . . . 0.0 112.314 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -149.04 140.04 22.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 17.7 mt -109.3 158.38 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.6 t -82.38 179.74 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.5 m -80.4 -6.11 57.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.38 -32.82 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.02 -44.15 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -28.83 35.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.0 -31.18 61.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -63.36 -21.16 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -80.35 -43.91 20.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.03 47.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -62.58 -56.36 18.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 16.1 tp -67.72 -28.23 67.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 96.3 m -55.1 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.38 -29.82 67.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -68.48 -30.08 68.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -91.49 10.89 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.96 17.08 58.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 10.1 mt -111.37 99.52 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.145 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.16 160.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -72.38 -26.61 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.08 -13.21 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -90.69 -7.79 51.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.92 109.73 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.7 mp -102.57 134.1 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -87.95 137.53 32.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -111.65 -24.84 9.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 2.4 t -51.69 -42.5 62.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -109.78 25.93 11.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -138.78 110.24 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -159.76 123.82 3.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -146.82 106.48 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -94.4 -25.37 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 11.0 mt -120.72 176.62 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -165.84 143.27 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.19 155.48 19.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -135.19 -177.84 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 20.3 tpp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.853 0.359 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.23 -140.7 4.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 p -117.71 168.67 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -94.96 119.91 34.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -168.99 161.48 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -99.87 82.13 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -101.86 49.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -51.9 -36.14 47.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -75.94 99.13 4.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -97.4 106.85 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.81 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -140.58 144.2 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -80.84 141.19 34.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.67 -47.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -79.88 116.58 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -140.01 169.8 17.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.7 175.81 4.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -170.05 -179.6 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -138.57 165.88 25.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -1.56 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.7 p -60.12 -18.4 47.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.68 40.16 1.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -133.08 100.18 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 t30 51.92 50.94 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -100.21 133.51 44.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -122.66 108.84 13.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 p -90.24 -13.08 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.76 -11.55 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -90.26 -54.19 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.5 pt -55.4 -25.61 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -57.79 127.59 32.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.36 -178.79 17.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.417 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -53.93 119.83 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -107.71 177.78 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -163.12 149.2 12.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.2 102.34 14.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.401 ' HB ' ' HG ' ' A' ' 138' ' ' LEU . 7.0 mm -73.02 -65.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.4 mm -138.3 147.38 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tp -120.54 122.52 40.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.988 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.47 132.34 46.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.3 p -170.35 148.8 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.9 p-10 -69.13 80.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.77 75.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -55.25 -27.66 47.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.98 -5.95 48.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 -44.27 5.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.5 45.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.059 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.99 -171.62 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -49.48 -57.39 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -107.45 49.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.56 -162.73 18.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -120.07 -29.34 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -95.2 -1.23 52.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.42 78.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.25 156.2 49.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -85.39 160.17 19.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.2 tp -102.4 150.5 23.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -109.1 -172.68 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -81.02 107.94 14.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mt -62.27 139.7 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.63 99.69 9.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.62 130.16 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.04 -167.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.14 -53.85 47.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -132.28 -20.09 2.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -108.31 -179.06 3.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.97 123.6 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 50.5 t -79.75 148.07 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -147.96 137.88 22.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.74 152.15 40.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -127.95 -172.79 2.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -132.79 110.14 10.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.9 p -129.33 142.46 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -106.36 161.28 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -147.73 114.78 6.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t0 64.89 51.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 60.25 27.73 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -125.73 119.98 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.6 m -65.78 137.93 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.04 -179.72 8.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.97 143.77 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.35 178.21 4.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -137.75 148.7 45.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.2 mtt -145.3 170.24 16.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.5 t -139.36 99.31 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.43 116.93 20.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.89 164.19 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -79.37 152.34 30.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.4 p -135.5 173.07 12.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.31 -19.83 56.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -59.84 -172.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.04 106.82 17.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 51.96 33.07 35.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.515 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -120.99 107.05 12.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.901 0.382 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -79.55 170.01 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.952 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.06 126.25 39.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.91 170.43 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.8 m -104.56 91.27 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.231 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.29 171.82 7.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.94 -25.93 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.09 169.2 26.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -50.81 121.55 6.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -157.66 169.87 23.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.65 133.7 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -102.86 134.34 46.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.1 p -140.16 175.18 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.1 mt -137.01 94.93 12.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.13 108.59 14.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 t -107.42 90.31 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.68 52.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.12 -33.84 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -49.84 -42.77 48.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.07 -68.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -139.06 133.23 31.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.8 tp -91.91 150.32 21.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mtm -131.43 135.9 47.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -129.77 154.63 47.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -137.93 109.56 7.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.2 tt -120.95 137.54 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.72 133.68 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -124.02 121.64 35.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -111.02 101.73 10.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -143.31 158.82 43.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 58.14 34.26 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 65.55 14.72 60.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -137.67 148.0 45.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.6 t -142.29 160.25 40.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -154.39 154.57 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -93.56 109.25 20.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -96.26 139.2 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 3.5 mtm -140.18 116.74 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -108.31 109.89 2.98 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.401 ' HG ' ' HB ' ' A' ' 41' ' ' ILE . 2.6 tp -79.49 123.0 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -114.98 161.49 18.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -154.1 152.28 23.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -50.14 -31.67 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 2.5 mm-40 -108.03 160.12 28.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.2 Cg_endo -69.77 -6.47 18.69 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -147.15 138.47 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 30.9 mt -108.59 145.49 34.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -69.61 179.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.4 m -80.25 -5.4 56.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -90.6 -31.57 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 88.4 mt -91.08 -43.28 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -58.75 -27.82 65.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -74.18 -30.76 62.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -58.75 -45.76 88.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -61.73 -36.73 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.6 -17.61 63.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -80.42 -28.0 37.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 9.3 tp -90.85 -35.97 14.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 9.8 p -51.24 -33.3 27.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.0 -35.83 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.92 -26.24 65.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -90.71 7.23 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.2 -8.0 75.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.7 mt -82.48 101.84 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.891 0.377 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.13 151.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.993 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -62.38 -23.71 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -75.57 -25.33 57.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -70.76 -10.19 58.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.4 118.67 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -105.06 123.46 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -71.24 132.38 44.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -103.48 -25.29 13.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.1 p -52.77 -28.89 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -113.04 29.97 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -133.11 114.5 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -179.38 136.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -147.96 -75.14 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.8 t 51.78 61.17 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 88.0 mt -132.45 -176.28 4.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -125.75 114.43 18.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.001 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -83.99 170.35 14.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.62 171.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.773 0.32 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.4 -152.58 23.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.7 p -132.59 178.43 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -83.05 -174.88 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -129.25 -67.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -125.94 150.09 48.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -161.23 179.78 8.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 63.37 58.59 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.788 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -111.23 158.13 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -155.54 167.27 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -140.34 150.24 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.16 161.09 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.91 -176.4 43.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.545 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -137.21 160.3 39.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -139.86 169.97 16.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.85 -179.84 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -158.2 -179.09 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -130.78 155.79 46.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -72.26 -7.61 50.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.7 p -57.08 -20.43 25.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.95 40.11 1.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -128.27 99.75 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 t30 54.25 49.02 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -99.98 141.81 32.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -130.08 102.19 6.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.1 p -83.46 -19.23 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.64 -20.13 64.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -82.8 -57.43 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.4 pt -54.11 -25.79 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -55.22 143.09 28.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.85 -175.21 17.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.55 ' N ' HE21 ' A' ' 63' ' ' GLN . 15.3 pt-20 -57.39 132.76 54.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -116.53 -176.67 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -162.73 139.41 7.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.09 99.94 12.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 mm -69.09 -68.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.2 mm -138.44 149.26 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tp -124.57 119.6 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.94 135.83 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.8 t -171.11 143.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.525 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.2 t70 -69.33 81.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.4 61.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -39.6 -48.88 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -51.63 -41.72 61.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -69.16 -50.35 48.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.26 47.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.75 -173.59 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -48.83 -60.68 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -94.76 25.59 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.58 -170.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -117.8 -21.74 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -96.47 -4.29 41.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -75.05 72.05 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.07 149.86 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -81.32 159.82 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.1 tp -96.74 152.95 18.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -109.06 -172.21 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.55 HE21 ' N ' ' A' ' 37' ' ' GLU . 6.1 tt0 -79.93 107.96 13.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.1 mt -71.09 139.76 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -109.72 142.09 41.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.4 t -94.79 118.01 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.19 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -109.39 -170.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -56.66 7.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -144.75 13.29 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -127.13 -179.51 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.01 116.81 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.9 t -79.97 114.52 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -121.39 137.14 54.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -123.38 152.61 41.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -130.35 168.14 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -114.93 118.07 32.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.2 p -134.02 137.61 44.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 m -93.6 161.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.1 tpt85 -149.99 121.19 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 59.62 46.96 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 61.03 29.18 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -131.97 119.83 21.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 80.0 m -55.14 146.58 18.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.78 -179.7 4.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.94 149.4 23.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.38 176.25 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.1 p -123.06 132.31 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.52 159.46 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.5 p -150.05 101.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.17 115.4 18.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.17 156.02 22.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -65.25 159.13 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.4 p -146.11 175.76 10.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.56 -24.11 44.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.11 178.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.36 112.35 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.76 25.27 65.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -125.15 104.52 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -80.16 170.04 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.78 127.21 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.9 m -109.18 170.36 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.4 m -103.08 92.25 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.11 173.2 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.11 -28.29 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -140.03 -152.05 5.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.522 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -84.39 125.58 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -160.97 164.09 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.56 131.33 20.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -98.82 135.96 39.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.2 p -140.8 173.62 11.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 60.5 mt -138.86 89.67 12.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -45.78 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.343 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.35 107.74 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.9 t -108.6 89.45 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.2 50.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -44.45 -32.7 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -47.84 -45.17 29.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -122.09 -68.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -135.59 132.65 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.2 tp -92.62 149.88 21.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.5 mtp -128.04 143.77 51.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.36 166.42 24.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.059 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -150.13 111.62 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.91 127.64 45.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.9 mt -113.96 140.27 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -127.73 146.4 50.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -133.31 99.42 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -146.32 160.74 41.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 63.95 20.14 12.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 77.71 20.71 73.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -150.16 154.03 37.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.401 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.2 t -141.72 160.24 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.6 151.85 30.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -91.49 107.12 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -97.87 139.37 33.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 9.7 mtp -139.13 118.39 12.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -103.47 110.35 3.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.551 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.5 tp -82.84 119.1 23.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -110.72 155.15 22.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -143.2 149.19 21.13 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.5 ptt-85 -50.05 -30.49 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.709 0.29 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.95 163.72 16.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -5.13 15.5 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.292 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -150.75 138.83 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 25.7 mt -108.64 149.42 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -74.92 -179.88 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 m -80.17 -4.1 51.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -90.78 -33.2 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 90.9 mt -90.87 -43.68 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -54.1 -28.2 37.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -76.28 -30.35 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -62.86 -23.54 67.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -79.92 -42.32 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.16 -21.86 48.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -63.98 -50.93 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.88 -24.43 59.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 92.1 m -59.47 -69.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -55.67 -30.66 61.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.66 -28.54 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.52 15.22 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.88 9.05 78.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 31.4 mt -106.84 97.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.34 166.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 5.1 tpp85 -73.64 -30.37 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -66.8 -13.28 61.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -90.35 -5.81 55.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.44 109.56 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 2.0 mp -101.45 125.49 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -84.47 128.84 34.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -97.31 -18.08 19.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 21.4 p -56.87 -22.74 39.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -94.05 -24.83 17.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -120.38 109.7 15.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -140.06 36.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -116.38 147.64 41.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.69 -36.74 47.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.7 164.62 34.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -93.94 18.75 9.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -83.4 166.5 18.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 154.95 47.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.785 0.326 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.19 175.03 35.48 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.532 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -134.05 179.94 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -119.22 179.01 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -163.08 176.85 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -114.94 131.03 57.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.9 -173.48 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -151.05 -176.8 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -124.06 170.63 10.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -145.97 179.73 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mp -110.03 149.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -149.11 -176.44 5.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.35 -171.85 0.46 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -80.37 130.38 35.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.732 0.301 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.25 152.68 20.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.87 -179.93 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -162.91 -179.79 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 m -131.99 161.81 32.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -74.33 -6.69 49.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 p -53.55 -24.64 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.5 40.14 1.39 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -130.15 100.19 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.5 t30 56.74 47.42 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -100.16 142.85 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.46 107.46 9.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.28 -13.49 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.11 -15.73 63.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -86.54 -56.29 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.7 pt -54.65 -24.92 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -59.8 126.43 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.81 179.42 16.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -51.71 119.68 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -106.31 -178.94 3.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -162.7 144.87 10.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.6 m -93.87 99.68 12.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.4 mm -68.21 -68.1 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mm -138.89 149.57 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -122.63 115.46 22.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.39 129.8 53.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.4 t -168.22 149.36 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 5.0 t0 -68.81 81.69 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.8 74.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -56.14 -25.56 46.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.64 -5.14 52.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.73 -40.51 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.5 51.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -170.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.95 -31.32 28.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -130.91 66.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -102.31 -171.42 27.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.56 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -117.26 -27.99 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -88.81 -6.92 57.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -81.44 61.38 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.8 149.37 31.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -79.43 117.29 20.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.6 tp -58.75 152.77 18.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -109.33 -173.03 2.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -81.2 107.5 14.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.68 139.75 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -107.66 100.39 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.05 123.37 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.7 mt -111.42 -167.46 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -60.22 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -127.67 -18.21 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.7 m -109.3 -179.46 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.49 124.93 8.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -79.88 146.45 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.113 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -149.93 136.61 19.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -121.55 152.69 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -130.67 167.24 19.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -133.67 102.43 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.01 134.75 54.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.4 t -71.87 116.51 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.5 137.91 44.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.4 t70 53.45 41.04 32.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 62.33 25.61 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -137.91 128.3 26.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.3 m -50.19 149.44 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.8 t -170.19 173.19 5.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.79 146.5 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.92 177.36 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.2 m -133.42 128.43 35.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.2 mtm -136.34 170.37 16.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.87 108.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.29 115.35 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -103.58 169.5 8.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -87.04 165.95 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.8 p -151.31 179.45 8.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -80.97 -1.11 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -70.19 -174.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.54 99.66 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 54.45 25.61 34.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.391 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -113.32 110.42 20.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -80.22 163.21 24.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.59 122.1 39.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.17 138.17 51.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.5 m -75.5 92.99 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.47 172.53 6.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.55 -26.43 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.03 167.81 28.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.547 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -49.74 117.47 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.83 170.25 22.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.58 125.88 10.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.063 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.83 132.48 45.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 p -134.07 174.64 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.1 mt -137.74 89.8 14.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.741 . . . . 0.0 111.167 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -49.13 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -112.51 107.67 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 t -108.14 89.16 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.01 50.75 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.08 -33.12 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.985 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -49.62 -43.47 46.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -121.99 -70.45 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -134.78 131.6 37.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.7 tp -93.3 148.89 21.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.7 mmm -131.29 141.25 49.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.26 144.63 40.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -123.11 117.71 26.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.8 tt -127.94 151.07 49.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.1 mt -139.99 136.32 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -126.99 125.96 42.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.772 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.59 99.82 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -139.11 155.18 48.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.58 31.64 18.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.84 9.93 60.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.548 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -133.81 149.16 51.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.903 0.383 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.7 t -139.48 160.09 40.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.59 149.06 30.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -90.41 107.2 19.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -98.17 139.95 33.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 15.0 mtt -143.99 111.6 6.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -99.24 116.74 5.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.4 tp -88.27 121.98 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -113.27 155.41 25.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -142.26 149.09 20.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -29.57 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.23 164.43 16.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.748 . . . . 0.0 110.846 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -4.45 13.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -147.38 136.95 22.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.0 mt -108.97 143.85 37.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -68.28 172.75 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.3 m -75.59 -5.7 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.65 -29.83 17.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 83.5 mt -90.96 -45.22 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.15 -30.94 39.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.13 -31.82 66.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -63.06 -26.66 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -75.49 -46.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.02 -29.07 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -60.9 -49.42 77.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.2 -27.07 65.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 60.8 m -65.9 -66.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -58.33 -22.55 53.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.86 -27.86 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -90.51 3.24 54.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 97.9 10.17 52.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.2 104.44 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.344 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.84 150.76 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -22.41 66.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -73.35 -20.51 60.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -80.81 -5.03 56.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.13 110.06 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.8 mp -101.62 121.2 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -91.59 127.63 37.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.414 ' O ' ' CD2' ' A' ' 170' ' ' LEU . 0.0 OUTLIER -140.08 5.64 2.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.64 -46.7 58.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -97.15 23.76 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -133.79 128.7 35.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -131.77 31.64 4.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.793 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -53.78 123.32 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.54 27.09 9.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -179.01 153.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -111.33 26.9 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -71.87 159.39 34.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.84 152.88 33.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.5 mtp . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.87 81.7 1.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.1 p -82.29 179.93 7.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -118.63 -74.15 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -171.4 177.43 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -172.2 172.57 4.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -107.82 -176.21 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -164.66 159.52 18.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -78.84 171.78 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -92.25 173.03 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.4 mm -99.94 144.65 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.79 -33.02 7.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.86 124.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.554 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.75 -179.47 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -51.61 170.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.51 -179.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -152.86 -178.95 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 p -129.94 155.99 45.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 p -69.93 -10.15 57.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.5 p -54.84 -23.45 18.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.58 40.06 1.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -127.53 99.97 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 t30 58.54 43.78 18.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -99.6 142.0 31.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -130.13 97.11 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -78.09 -12.98 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.84 -20.42 63.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -81.44 -55.6 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.8 pt -55.79 -23.62 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -61.27 130.42 46.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.75 -178.76 16.84 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.429 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.548 ' N ' HE21 ' A' ' 63' ' ' GLN . 42.6 mt-10 -54.32 119.27 4.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.928 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -104.63 -176.59 3.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -162.84 148.65 12.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.0 m -96.09 99.37 11.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 mm -69.54 -69.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.2 mm -142.13 148.26 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tp -118.21 126.9 53.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.5 129.85 41.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.031 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.62 145.63 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 6.9 p-10 -68.29 81.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.21 72.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -54.57 -29.25 50.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.66 -6.3 47.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.13 -50.97 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.3 40.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -173.25 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -52.59 121.78 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.788 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 62.79 30.76 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.15 -158.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -121.51 -6.82 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -125.64 8.48 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.62 58.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.7 155.9 22.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -77.43 151.22 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.0 tp -95.79 151.27 19.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.73 -172.66 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.548 HE21 ' N ' ' A' ' 37' ' ' GLU . 8.6 tt0 -82.21 107.93 15.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.5 mt -61.46 139.48 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -108.2 102.6 11.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.1 t -66.28 112.93 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.191 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.0 mt -100.84 -168.67 1.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -55.58 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -141.27 10.19 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 m -129.27 -179.96 5.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.29 122.83 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.7 t -87.64 118.38 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -122.81 135.52 54.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -118.51 152.45 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -131.55 157.37 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -106.7 120.46 42.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.5 p -135.86 147.06 48.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -90.99 118.1 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -110.38 129.75 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 59.28 43.87 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 59.12 27.7 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -139.21 134.28 32.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 83.3 m -48.45 139.83 8.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.24 -179.54 8.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -157.28 138.42 13.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.58 178.21 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.9 p -132.35 110.59 10.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.3 mmt -110.5 161.96 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 p -150.2 109.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.35 108.39 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -102.92 152.58 21.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -64.06 170.56 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 45.3 p -151.51 179.78 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -56.72 -25.89 55.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -71.56 166.81 21.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.87 102.19 10.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.33 -26.39 24.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -86.66 103.74 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -83.5 159.07 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.5 p -121.82 116.58 24.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.2 137.41 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 97.8 m -72.64 92.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.98 172.53 6.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -49.37 -26.83 3.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.26 163.35 28.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.566 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -49.69 120.17 4.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.28 168.52 27.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.17 125.29 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -98.9 130.24 45.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.966 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 p -136.57 173.92 11.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 55.7 mt -139.14 89.63 12.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 111.158 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -48.76 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.763 2.309 . . . . 0.0 112.301 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.97 108.89 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 t -112.08 89.53 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.8 52.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.06 -33.33 1.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -49.47 -43.95 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -121.02 -69.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -136.57 133.4 36.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.4 tp -91.51 150.61 21.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mtm -130.47 133.03 45.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -128.21 157.36 41.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -140.68 110.52 6.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.0 tt -124.39 130.03 51.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 31.8 mt -116.54 127.21 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -119.07 126.63 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.42 99.75 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -140.66 156.49 46.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t0 61.45 30.59 18.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 69.27 14.02 68.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -137.37 152.49 49.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.2 t -144.86 160.19 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -155.8 156.88 35.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -92.62 107.81 19.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -91.84 139.26 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 13.0 mtt -142.35 109.74 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -100.62 113.41 4.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.5 tt -79.9 125.88 30.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -125.37 137.0 54.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.34 154.52 20.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -51.08 -30.33 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.32 162.71 19.41 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.678 0.752 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.65 16.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.385 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.7 139.16 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 16.7 mt -108.86 152.39 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.7 t -73.96 177.63 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.07 -7.35 58.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.07 -30.94 17.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 88.5 mt -90.52 -44.71 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -53.79 -29.98 42.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.57 -30.09 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -60.51 -42.88 97.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -65.49 -43.06 91.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.63 -25.53 53.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.53 -55.61 29.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.29 -29.35 70.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 79.7 m -57.94 -66.58 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -56.71 -26.09 55.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -69.05 -35.54 76.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -86.75 -4.34 59.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 110.83 -6.57 29.42 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 56.0 mt -82.25 98.15 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.384 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.24 148.26 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -23.53 63.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -74.9 -26.11 59.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -72.46 -10.11 59.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.87 109.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -95.77 115.92 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -92.62 123.31 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.17 25.92 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 92.8 p -55.96 -25.79 45.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -94.28 -17.07 23.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -102.22 110.35 22.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.056 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -139.16 28.3 2.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -118.48 -178.15 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.4 m -70.39 -61.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.17 178.77 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -131.93 152.47 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -75.7 169.85 17.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -125.54 178.45 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.844 0.354 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.43 -164.07 34.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 p -139.87 179.91 6.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 p -107.3 -174.44 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -141.19 172.56 12.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -130.31 -172.44 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -136.87 -175.11 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -133.0 -173.2 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -146.12 -173.61 4.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -59.01 -177.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mp -129.79 -78.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.39 -172.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.14 -114.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.425 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.81 134.43 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.879 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -139.63 171.4 14.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.32 178.06 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.34 -179.69 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -130.68 159.47 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -8.56 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -55.89 -21.68 21.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.86 40.15 1.34 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.563 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -126.41 99.72 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.6 t30 51.57 49.16 21.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -100.08 142.22 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -130.29 92.44 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.22 -14.0 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.71 -7.07 52.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -90.47 -55.62 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.3 pt -53.67 -27.29 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -53.1 151.8 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.35 179.86 23.07 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -50.79 119.29 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -106.88 -176.84 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -162.9 148.46 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -100.08 99.83 10.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.407 ' HB ' ' HG ' ' A' ' 138' ' ' LEU . 6.8 mm -70.09 -68.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.2 mm -141.89 152.13 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tp -117.67 145.27 44.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -149.62 129.79 13.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.5 p -170.39 148.89 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 13.0 t70 -68.08 81.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.13 75.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -55.19 -28.05 50.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -76.26 -6.03 49.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 -45.66 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.93 45.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -172.09 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -51.45 -46.31 63.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -106.81 52.36 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.85 176.01 37.4 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.569 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.28 -19.5 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -93.88 -15.9 24.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -77.13 62.84 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.27 155.77 24.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -77.56 145.08 37.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.3 tp -90.26 150.44 21.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.66 -171.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -81.14 107.77 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 mt -64.72 140.87 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 99.92 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.8 m -67.54 110.59 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.1 mt -94.4 -167.76 1.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -53.94 -53.98 45.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.99 -19.38 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -107.86 -179.31 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.63 134.83 20.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.2 t -96.44 116.66 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -118.75 135.84 54.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -117.89 153.24 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -131.32 173.08 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -121.87 119.62 32.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.808 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.1 p -143.95 144.55 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.19 161.36 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -149.11 121.35 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.05 47.23 3.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 59.01 29.63 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -131.1 130.24 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.2 m -63.15 144.07 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.28 -179.73 7.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -160.36 140.9 11.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.31 179.38 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -141.18 104.61 4.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.3 mmt -101.78 163.45 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 90.0 t -146.73 125.01 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.82 115.9 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -105.63 144.51 32.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -62.39 159.64 14.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 74.3 p -140.47 179.16 6.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -78.15 -4.07 45.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -72.59 -173.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.68 99.59 8.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.51 24.71 68.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -119.03 100.76 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -79.62 170.06 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.5 m -141.89 119.47 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.4 m -102.1 170.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.7 m -100.2 91.08 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.45 172.61 6.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.43 -26.9 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.79 165.45 27.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -50.0 122.74 7.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.799 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.79 169.23 24.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.7 134.06 28.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -104.53 138.77 40.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.4 p -146.08 175.1 10.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -138.93 89.06 13.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.595 0.712 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.297 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.26 108.63 16.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 t -108.33 89.18 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.68 50.89 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -45.61 -34.05 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -51.57 -39.26 57.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -121.41 -69.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -138.38 135.73 35.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -91.31 142.13 28.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.49 109.39 10.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -109.33 143.56 38.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -120.84 118.9 31.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.7 tt -132.21 126.7 34.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.5 mt -109.4 138.7 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.43 122.71 36.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -110.78 105.86 14.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -149.8 157.46 43.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 42.4 t0 62.98 31.61 16.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.35 13.01 64.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -140.55 153.87 46.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.0 t -143.06 159.96 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -152.94 156.57 39.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -94.12 109.43 21.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -98.17 138.6 35.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 8.0 mtp -144.55 112.89 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -100.6 113.34 4.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.449 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.407 ' HG ' ' HB ' ' A' ' 41' ' ' ILE . 9.1 tp -78.92 125.9 29.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.949 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -121.03 157.81 29.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -151.08 154.62 25.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -51.3 -28.31 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.11 162.53 20.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -6.08 17.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.0 141.83 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.7 mt -108.85 142.2 39.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.1 t -66.16 -180.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.7 m -80.52 -7.88 59.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.06 -31.33 17.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 92.2 mt -90.87 -44.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -53.17 -31.55 43.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.73 -31.73 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -63.06 -21.55 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -77.79 -46.06 22.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.41 -31.17 61.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.125 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.32 -44.62 96.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.65 -36.08 67.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 84.4 m -54.21 -69.21 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.06 -35.75 64.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.04 -33.77 76.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.63 -3.51 58.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 102.16 11.15 37.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 42.8 mt -103.69 105.2 17.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.44 149.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -69.65 -33.71 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -68.01 -11.65 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -86.51 -7.12 58.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.83 113.5 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.4 mp -101.08 113.96 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.48 118.24 19.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 1.6 pp -111.03 20.94 16.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 6.8 p -61.24 -27.35 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -96.65 23.21 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -146.8 126.49 13.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -140.75 -74.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -73.28 -179.83 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 59.6 m -52.01 136.27 29.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 40.2 mt -150.39 173.66 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -171.85 137.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.77 136.58 32.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.9 -21.37 9.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.777 0.322 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.77 169.16 17.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.5 t -99.8 151.98 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.863 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 p -147.55 153.8 39.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -175.49 133.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.86 23.53 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 51.77 55.76 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -162.99 161.53 25.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -155.64 151.24 27.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -158.83 177.73 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.1 mm -117.72 150.27 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -121.11 -177.57 3.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.18 -149.24 0.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -113.62 132.8 55.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -140.12 169.86 16.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -179.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -153.79 -179.48 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 p -132.01 156.49 46.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -68.22 -11.81 59.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.7 p -56.23 -21.66 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 40.04 1.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -124.57 100.06 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.5 t30 54.59 46.7 24.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -100.0 140.52 34.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -129.91 95.73 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.27 -15.77 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.61 -30.88 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -56.02 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.2 pt -56.29 -21.74 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -62.71 126.7 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.61 -171.24 22.05 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.459 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -60.86 119.4 8.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -106.82 178.85 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -162.7 148.16 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.35 99.09 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 mm -65.33 -70.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.3 mm -142.93 146.63 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tp -117.28 126.15 52.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.05 129.19 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 p -171.34 151.18 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.3 t70 -68.55 81.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.94 75.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -55.02 -28.83 55.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.6 -7.11 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -100.68 -45.43 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.61 45.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -172.54 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -49.45 -52.28 30.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -115.09 57.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.15 -167.96 44.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.559 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -116.89 -13.85 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -109.65 2.26 20.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -82.93 4.9 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 pp -50.04 150.54 2.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.07 131.64 34.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.7 tp -74.22 149.33 40.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.33 -170.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -80.25 107.36 12.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 mt -62.0 132.81 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.419 ' HB3' ' HB ' ' A' ' 72' ' ' VAL . 48.2 t60 -106.05 99.16 8.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.7 t -54.23 139.73 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.3 mt -129.83 -167.98 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.64 -55.4 19.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.59 9.47 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 m -131.82 -179.59 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.57 121.6 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' A' ' 65' ' ' HIS . 18.8 t -80.63 111.54 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -122.23 133.47 54.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -112.85 151.56 30.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -121.11 167.51 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -120.82 99.89 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.7 p -114.01 142.4 46.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -106.86 161.44 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -147.36 117.51 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 61.72 48.81 5.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 62.18 21.33 12.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -117.14 130.23 56.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 m -69.27 138.85 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.49 179.81 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -160.14 148.16 16.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.19 179.25 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.8 p -122.15 113.96 20.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.1 mmt -118.92 159.35 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.9 t -149.86 102.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.57 114.68 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.15 179.78 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.3 172.07 14.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.8 p -144.91 179.47 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.7 -24.89 59.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 175.24 9.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.81 107.11 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 105.19 -31.43 8.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.87 109.95 15.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -89.91 160.95 16.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 t -123.95 127.56 48.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 p -121.06 139.97 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.1 m -74.12 92.44 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.61 172.15 6.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -50.38 -26.62 5.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.96 169.05 28.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -50.02 118.66 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.377 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.41 167.4 30.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.54 130.38 13.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -107.88 142.94 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 p -142.72 177.41 8.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 37.5 mt -137.21 90.84 15.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.633 0.73 . . . . 0.0 111.176 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.75 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.35 108.09 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 t -105.96 88.08 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.75 51.54 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -44.82 -32.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -51.43 -42.59 61.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -121.14 -70.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -136.62 132.16 34.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.9 tp -94.11 147.81 22.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.8 mtt -125.36 147.09 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.93 133.96 24.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -115.87 115.04 25.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.7 tt -125.97 151.53 46.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mt -140.96 133.22 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -123.47 128.18 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -116.23 99.6 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -138.45 156.27 47.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.0 t0 62.67 24.22 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.15 1.69 80.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -125.97 155.07 41.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.4 t -144.16 159.49 42.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -150.48 152.37 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -90.2 108.51 19.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -94.86 139.51 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 6.0 mtt -138.35 113.79 9.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.977 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -104.06 109.81 3.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.443 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.4 tt -79.94 126.61 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -121.85 148.03 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.18 153.32 25.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -51.44 -27.99 11.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.704 0.288 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.17 162.29 22.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.69 0.757 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -6.03 17.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.284 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -150.17 139.29 21.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 24.0 mt -108.87 144.72 36.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 178.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.8 m -79.55 -4.59 52.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.94 -33.62 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 74.0 mt -90.57 -44.54 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -28.0 39.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.86 -30.03 58.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -62.95 -35.01 78.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -73.01 -39.61 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.63 -23.78 43.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -66.88 -51.94 49.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.39 -24.66 67.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 62.9 m -66.7 -67.57 0.44 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -55.59 -25.55 39.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.71 -26.1 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -94.19 0.68 55.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 102.39 0.86 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 31.7 mt -95.32 101.3 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.36 . . . . 0.0 111.199 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.44 148.25 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -22.2 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -74.45 -22.51 59.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -79.3 -4.63 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.55 109.6 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.79 130.09 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -84.89 136.82 33.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.37 -18.71 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 63.5 p -51.64 -30.46 21.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -114.65 30.2 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -141.05 -179.45 6.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 61.49 99.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -158.12 28.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 11.4 m 53.16 54.83 9.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 2.7 pp -166.46 170.16 13.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -142.9 135.03 27.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -90.11 170.2 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 66.51 12.6 8.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.905 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.2 ttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.46 114.71 3.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 t -126.76 152.74 46.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 p -172.86 150.7 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -122.78 119.3 30.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -119.61 -175.34 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -107.54 -172.62 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -126.23 140.59 52.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -163.62 170.86 16.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -95.64 145.59 25.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.0 mm -132.63 147.99 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -98.79 -173.39 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.41 166.15 37.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.437 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.78 132.17 47.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.882 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -135.68 170.07 16.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -69.72 179.94 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.49 -179.44 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -136.08 160.26 39.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.06 -8.06 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 p -59.08 -19.3 43.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.47 40.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -129.13 99.94 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.02 43.41 24.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -94.82 137.53 33.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -129.94 93.52 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.87 -11.97 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -73.16 -12.21 60.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -89.3 -53.16 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.2 pt -56.49 -22.67 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -60.67 126.71 28.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.84 179.63 16.36 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.566 ' N ' HE21 ' A' ' 63' ' ' GLN . 40.0 mt-10 -53.98 119.59 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -105.47 -178.78 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -163.0 144.7 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 m -93.59 99.74 12.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' HB ' ' HG ' ' A' ' 138' ' ' LEU . 8.3 mm -68.32 -68.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.5 mm -140.31 150.14 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tp -120.79 123.57 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.2 130.54 46.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.2 t -170.33 150.14 3.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.9 t0 -70.85 81.27 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.78 65.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -52.69 -33.75 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.58 -12.61 54.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 47' ' ' LYS . 3.5 ttpp -101.05 -34.03 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.29 42.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.13 -170.69 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -45.88 -49.65 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -107.55 47.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.42 -179.79 47.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -118.64 -20.91 8.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 110.809 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -103.8 -0.42 29.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -85.96 50.83 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.67 156.1 18.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.91 160.43 28.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.7 tp -103.6 151.39 22.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -171.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.566 HE21 ' N ' ' A' ' 37' ' ' GLU . 9.5 tt0 -81.13 107.47 13.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -63.58 139.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.08 99.84 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.26 101.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.8 mt -85.14 -166.39 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -54.96 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -131.29 -20.19 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m -108.35 -179.19 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.797 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.1 138.01 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.4 t -97.79 115.23 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -123.27 133.97 54.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -118.45 151.57 37.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -129.87 -173.97 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.958 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -149.55 106.04 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.85 135.55 45.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 m -82.46 161.42 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.06 129.78 14.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 t0 62.89 43.95 6.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 59.04 26.98 15.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -128.68 126.42 40.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.9 127.91 33.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.7 t -153.99 166.87 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -135.52 153.77 51.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -124.17 -179.78 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.8 p -140.37 135.11 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.0 mmt -135.42 165.75 24.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.9 p -150.41 112.54 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.82 118.86 21.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.39 155.11 20.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -72.04 165.07 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.3 p -151.0 -179.9 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -78.43 -12.32 60.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -58.73 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.59 99.64 8.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.91 15.14 59.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -112.22 108.34 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -80.21 162.68 24.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 90.4 p -121.4 117.19 26.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 13.3 p -111.66 131.27 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.3 m -69.76 92.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -107.06 172.69 6.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.8 -27.56 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.45 161.71 27.67 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -49.54 119.57 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.67 169.97 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.63 126.27 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -99.09 128.25 45.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.9 p -133.16 174.86 9.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 40.7 mt -139.0 89.9 12.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 -48.81 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -112.55 107.97 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.7 t -110.51 89.57 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.72 51.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.78 -32.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.978 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -47.47 -45.66 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -122.32 -69.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -133.59 133.6 42.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.2 tp -92.62 150.69 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 7.3 mmm -132.87 136.46 46.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.03 163.6 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -143.27 114.29 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.4 tt -125.16 136.58 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.6 mt -125.15 130.4 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.037 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -121.1 128.28 52.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -114.09 99.54 7.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.93 157.02 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.68 24.22 14.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.22 1.15 79.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.558 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -126.6 155.71 42.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.4 t -140.94 158.49 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -147.96 153.08 38.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -93.29 109.98 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -98.83 135.16 40.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 3.4 mtp -140.21 112.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -102.5 117.22 5.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.408 ' HG ' ' HB ' ' A' ' 41' ' ' ILE . 3.5 tp -85.27 126.92 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -119.65 153.82 34.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.98 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -140.84 149.3 20.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -52.83 -24.08 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.411 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.0 OUTLIER -116.02 163.36 21.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.749 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.2 Cg_endo -69.79 -3.68 12.51 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.256 . . . . 0.0 112.362 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -150.41 139.17 20.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 17.2 mt -109.38 148.13 31.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.8 t -74.42 -179.85 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.0 m -81.13 -5.96 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -30.76 17.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 92.5 mt -90.84 -44.34 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -53.31 -31.17 42.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -71.74 -31.42 66.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -64.73 -19.83 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -82.93 -43.67 16.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.31 -25.29 33.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -63.04 -59.74 4.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.57 -28.58 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 91.4 m -58.2 -68.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.42 -25.94 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -73.16 -30.48 63.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -90.5 6.86 41.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.49 22.63 31.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.537 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.62 102.83 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 0.0 111.043 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.07 154.31 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 19.2 tpt85 -68.06 -23.54 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.65 -18.53 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -82.75 -9.57 59.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.77 109.79 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -101.13 112.95 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.13 121.69 24.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 1.3 pp -115.57 20.77 14.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.04 -26.82 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -98.91 25.35 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -149.68 123.09 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -142.21 -49.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -76.35 165.79 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 2.0 m -61.05 171.2 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 26.1 mt -98.77 175.92 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -127.68 152.0 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.84 168.97 11.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -118.18 179.38 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.9 mmt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.8 0.333 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.17 -175.07 21.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.422 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -126.15 170.43 11.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 0.0 110.906 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -119.89 -56.03 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -114.05 35.24 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -154.16 -178.29 7.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 63.37 55.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.3 p80 -91.45 158.41 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -51.95 156.04 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -127.34 -87.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 mm -151.15 145.76 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.53 -67.51 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.49 -178.67 39.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -82.86 116.47 22.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -139.96 170.11 16.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.71 -179.9 1.94 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -160.38 -179.33 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -133.87 155.18 50.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 p -69.41 -11.11 60.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.8 p -54.58 -24.29 20.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.55 40.16 1.38 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -129.03 99.81 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 58.84 43.99 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -99.41 142.37 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -128.99 102.9 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -84.61 -12.21 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.48 -21.61 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -80.49 -55.11 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.2 pt -56.67 -22.48 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -61.88 125.45 23.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.72 179.66 16.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -51.43 119.64 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -106.13 -178.58 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -162.57 149.26 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.58 99.71 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.7 mm -67.84 -68.5 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.4 mm -139.07 146.09 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 tp -116.6 120.31 38.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.06 132.77 49.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.1 t -167.19 150.62 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.1 p-10 -69.52 81.5 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.68 73.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.9 mmm-85 -56.3 -26.68 52.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.61 -3.33 43.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.01 -50.68 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.5 40.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.97 -170.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.44 119.73 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 60.75 38.59 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.47 -160.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -118.9 -28.77 5.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -100.61 -11.13 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -74.79 71.48 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.78 156.18 35.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.31 150.67 29.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.3 tp -95.96 150.25 20.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.61 -172.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -81.62 108.18 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -62.22 139.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 100.84 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.2 t -65.18 106.09 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 29.6 mt -91.15 -167.97 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.89 -53.47 52.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -133.54 -17.13 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -109.04 -179.64 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.66 124.78 13.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.04 118.02 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -123.58 137.06 54.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -119.44 153.02 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -130.75 169.1 16.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -118.57 114.82 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.822 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.1 p -131.92 138.34 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -96.16 160.95 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -149.82 118.3 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.48 47.54 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 59.97 30.99 20.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -132.84 129.29 38.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.9 m -64.7 142.55 58.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.26 -179.82 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.29 147.9 24.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -110.79 173.18 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -122.18 131.4 53.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -133.62 166.84 21.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 p -150.49 103.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.97 103.45 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.45 170.68 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -85.63 166.14 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.5 p -150.42 166.6 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -18.02 58.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -58.32 -179.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.78 109.8 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 57.02 30.88 60.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -126.08 112.12 15.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -87.18 156.41 19.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.9 p -115.4 117.8 31.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.9 p -112.81 134.56 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 m -71.44 92.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -106.83 172.01 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -49.58 -26.77 3.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.61 163.67 28.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -49.82 117.3 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.28 170.29 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.73 123.91 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.56 128.98 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 p -134.07 176.37 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 24.6 mt -137.23 90.47 15.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.26 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.78 2.32 . . . . 0.0 112.323 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.03 108.34 17.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.7 t -110.89 89.59 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.187 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.54 52.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.69 -32.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -50.04 -43.82 51.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -120.86 -69.56 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -137.12 133.57 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.4 tp -91.69 149.15 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.1 mtm -131.77 138.01 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.67 154.7 49.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -134.38 117.42 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.4 tt -126.38 151.97 46.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.5 mt -141.66 127.14 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -119.73 125.35 48.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -111.03 99.87 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -138.51 157.04 46.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.19 29.02 18.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.09 7.16 66.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.554 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -132.11 152.76 51.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.5 158.33 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -148.36 151.47 35.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -93.08 106.48 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -92.88 139.93 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 15.1 ttm -140.2 116.1 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -109.8 112.38 3.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 12.5 tp -80.25 140.05 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -133.97 156.34 48.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.66 153.82 25.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -53.67 -26.6 23.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.78 162.86 18.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.754 0.788 . . . . 0.0 110.816 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.6 18.96 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -152.86 149.71 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 33.3 mt -113.27 149.68 33.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.8 t -74.79 -179.79 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.3 m -78.68 -5.64 53.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.33 -33.33 16.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 89.8 mt -90.86 -44.77 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -31.3 43.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -70.81 -31.5 68.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -66.16 -21.47 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -80.72 -47.72 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.0 -25.42 29.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -57.23 -56.57 20.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 13.6 tp -66.84 -26.34 66.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 86.3 m -65.19 -68.64 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.47 -25.31 62.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.32 -23.65 60.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -100.52 10.1 41.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 100.03 -16.37 58.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 43.2 mt -77.2 92.11 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.11 169.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -36.54 83.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -60.88 -18.38 55.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -83.31 -12.51 56.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.27 109.58 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.9 mp -102.37 126.13 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -81.13 125.31 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -96.89 -19.77 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 58.5 p -54.6 -26.98 35.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -108.05 29.15 7.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -157.2 119.13 3.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -178.82 -171.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 63.31 39.29 9.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 39.3 m 51.85 30.19 6.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 93.5 mt -144.76 167.35 22.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -166.84 123.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -51.97 158.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -110.04 -16.81 13.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.0 mtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.872 0.367 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.46 178.39 47.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -139.97 -179.98 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.7 p -149.33 171.62 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -152.09 178.5 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -142.24 179.39 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -157.92 163.25 38.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -174.17 159.48 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -175.19 164.42 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -154.85 129.51 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.3 mm -137.44 146.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -116.55 -36.18 4.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.22 112.24 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.0 -179.6 3.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.728 0.299 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -51.67 170.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.86 179.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.33 -178.42 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 p -129.37 163.55 25.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 p -72.83 -6.57 45.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.3 p -52.09 -24.19 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.24 40.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.33 121.89 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 39.48 44.21 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -100.1 131.97 45.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -120.67 108.65 14.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 p -89.31 -15.03 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.14 -11.38 60.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -90.1 -54.86 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.9 pt -54.52 -25.79 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.048 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -57.45 130.52 46.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.12 -178.45 17.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.91 119.35 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -105.69 179.64 4.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -161.81 147.06 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -92.59 99.46 12.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.0 mm -70.89 -69.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.5 mm -140.28 148.5 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 tp -117.03 133.64 55.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -139.36 129.25 24.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' A' ' 135' ' ' LEU . 44.4 t -170.77 148.37 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 30.1 t0 -68.84 81.25 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.85 74.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 mmm-85 -55.02 -28.58 53.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.42 -5.07 43.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.51 -43.13 6.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.16 50.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -171.46 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -49.77 -37.9 31.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -122.76 68.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.83 -173.73 20.7 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.433 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -117.67 -25.77 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -90.36 -19.76 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -77.26 59.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.2 156.97 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.8 159.89 33.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.3 tp -107.46 153.3 23.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.51 -172.03 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -81.57 108.01 14.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mt -63.05 140.11 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -105.56 99.14 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.86 128.58 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.3 mt -116.82 -167.68 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -54.34 -53.21 56.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -133.28 -20.05 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.7 m -108.43 -179.68 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.05 122.82 5.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.1 t -79.83 147.73 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.67 131.07 15.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -107.43 152.83 23.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -131.83 172.24 12.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -118.61 126.55 52.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.812 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.1 p -150.15 138.39 20.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.0 m -94.85 161.43 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -148.15 122.84 9.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 58.17 46.53 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 60.61 24.47 14.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -127.08 122.77 35.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.6 m -51.89 149.34 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.86 -179.73 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -160.33 142.35 12.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.95 176.59 5.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -134.43 111.89 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 25.5 mmt -107.45 164.58 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.2 p -150.38 116.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.5 116.69 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.2 160.13 20.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -69.08 152.49 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.1 p -140.16 177.14 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -57.17 -23.85 50.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -58.18 179.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.03 106.89 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.42 32.54 83.36 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -128.41 116.38 19.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -79.32 169.37 18.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.6 p -131.36 117.77 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.9 m -110.93 170.44 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.0 m -111.42 91.45 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.41 173.12 6.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -48.25 -28.1 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.58 162.18 26.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -49.78 122.66 6.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.51 166.26 31.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.09 137.15 34.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -102.26 138.79 38.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.1 p -146.43 174.06 11.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 12.3 mt -136.87 95.54 12.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.695 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -47.49 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.308 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.31 108.92 16.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.4 t -106.87 88.35 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -112.87 52.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -32.58 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.85 -44.17 49.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -121.06 -70.23 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -134.85 132.84 39.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.4 tp -92.17 148.46 22.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.7 ttm -125.09 147.32 49.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.6 161.89 35.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -149.94 106.67 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.7 tt -120.8 124.59 45.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 64.3 mt -107.16 133.43 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -125.72 123.0 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -108.98 103.4 12.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 156.05 41.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.08 33.93 11.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.74 11.89 58.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -139.21 152.55 47.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.41 158.41 44.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -155.31 155.36 33.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -102.36 107.08 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.413 ' HA ' ' HB2' ' A' ' 45' ' ' SER . 3.2 tm? -89.35 140.36 29.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 53.3 mtm -138.48 108.97 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -98.0 116.74 5.62 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.511 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.4 tt -79.64 125.21 29.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -120.19 155.35 33.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.43 157.49 27.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -47.19 -53.36 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.422 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 2.0 mt-10 -93.17 161.01 32.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.2 Cg_endo -69.89 -5.87 17.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.31 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -140.03 132.92 29.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 23.4 mt -108.51 138.42 44.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -62.78 175.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.3 m -77.1 -9.13 58.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -86.92 -32.37 20.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 83.4 mt -90.94 -47.47 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -31.15 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -71.11 -28.51 64.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -59.97 -42.76 94.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -66.4 -25.45 66.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -76.62 -16.17 59.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -78.83 -28.53 44.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.0 tp -91.27 -36.3 13.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 9.3 p -49.87 -33.54 17.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.38 -40.37 67.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -70.92 -10.81 60.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -104.95 5.89 33.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.16 -19.21 47.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 25.7 mt -74.74 99.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 111.074 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.68 148.25 4.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.3 mmm-85 -59.51 -22.53 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -78.03 -25.71 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -70.54 -11.04 60.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.29 113.91 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -99.73 114.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -89.08 122.44 32.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.82 25.74 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 1.3 t -56.63 -25.24 52.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -115.43 26.83 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -135.22 109.85 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -175.68 112.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.21 165.83 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -98.38 129.64 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.2 pp -53.08 171.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -125.05 138.38 54.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.62 162.41 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.59 -175.39 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 43.6 mtp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.786 0.326 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.39 35.32 0.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -126.17 133.26 51.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -166.63 163.31 16.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -97.96 -175.33 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 54.8 p-80 -157.69 171.19 20.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -99.37 148.62 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -146.39 132.35 19.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -69.92 143.48 52.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -165.95 148.76 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.93 146.66 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -56.31 156.21 6.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.31 -94.82 1.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -152.65 137.53 17.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -51.89 170.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.85 -179.63 1.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.45 -178.68 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.34 160.83 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -9.77 58.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.6 p -58.25 -20.25 40.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.34 40.16 1.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.45 100.3 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 51.83 48.38 22.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -99.88 139.56 35.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -130.04 105.18 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.9 p -85.08 -14.52 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.49 -12.7 61.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -89.66 -57.15 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.5 pt -52.5 -27.44 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -55.95 148.02 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.32 -167.98 12.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' N ' HE21 ' A' ' 63' ' ' GLN . 49.9 mt-10 -64.35 120.03 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 110.833 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -103.84 -178.07 3.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -162.88 144.27 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.44 99.6 11.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.8 mm -68.59 -68.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.5 mm -140.65 146.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tp -118.98 141.04 49.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.99 133.38 20.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -170.89 147.99 2.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 52.6 t0 -67.64 80.33 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.17 77.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -54.74 -28.62 49.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -75.3 -6.36 49.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.52 -41.92 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.1 47.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.69 -172.58 2.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.39 -40.29 49.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -119.31 69.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.61 -172.05 19.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.548 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -115.29 -28.65 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -91.97 -11.75 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -83.74 67.0 9.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.1 154.13 43.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.65 133.18 42.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.1 tp -77.88 152.54 33.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -109.51 -171.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.431 HE21 ' N ' ' A' ' 37' ' ' GLU . 4.1 tt0 -80.32 108.55 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.5 mt -70.17 136.02 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.16 136.73 41.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -95.48 118.39 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -108.29 -170.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.87 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -139.79 10.21 2.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -124.41 179.06 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.86 116.45 6.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.42 118.72 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -122.84 135.03 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -118.94 152.08 36.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -130.44 175.59 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -129.89 115.1 16.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 p -125.65 154.49 42.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.2 m -110.82 160.6 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -150.57 120.83 7.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 58.4 48.2 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 60.49 34.19 20.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -132.59 139.61 47.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.3 m -73.53 137.91 44.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.06 179.68 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -160.16 146.05 15.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.67 -179.63 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -132.7 105.39 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.7 mmt -107.71 161.44 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.1 p -150.26 116.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.97 112.28 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.56 165.59 11.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -76.42 167.46 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.5 p -150.27 -179.65 7.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -81.82 -0.08 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -77.78 -176.6 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.87 115.07 29.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 52.66 31.53 37.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -132.15 104.74 6.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.75 161.76 24.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 t -120.89 121.55 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.3 p -112.95 132.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.6 m -69.37 92.19 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.83 172.97 6.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.05 -26.62 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.938 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.96 163.99 28.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.432 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -49.67 121.38 5.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.13 169.16 24.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.66 127.28 19.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -99.56 131.08 45.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.9 p -136.14 177.89 7.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 37.6 mt -139.94 97.36 7.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.614 0.721 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.17 109.1 14.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.5 t -102.7 88.71 3.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.83 50.19 0.94 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.55 -33.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -47.21 -45.6 23.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -122.11 -69.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.405 ' HA ' ' HA2' ' A' ' 140' ' ' GLY . 33.0 p90 -132.84 131.16 40.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 19.9 tp -92.58 150.23 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 ttt -126.71 135.93 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -135.89 143.78 45.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -128.69 110.7 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.796 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 tt -120.45 140.57 51.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.0 mt -127.13 131.47 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -122.63 132.7 54.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -119.78 99.55 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -136.6 157.39 46.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 59.86 24.32 13.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.33 0.44 78.07 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.418 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -122.87 153.16 40.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -143.79 159.08 43.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -149.95 154.23 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -91.9 109.25 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.8 140.43 31.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -145.86 109.56 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -100.25 120.36 6.85 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.0 tp -89.86 118.93 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -111.58 157.92 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -147.47 148.61 20.33 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.574 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -30.26 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.505 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.2 mm-40 -110.53 160.62 27.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.737 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.4 Cg_endo -69.74 -4.66 14.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -147.52 136.54 22.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 23.3 mt -108.74 143.37 37.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.0 t -69.08 176.41 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 m -77.84 -4.23 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -32.68 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 93.0 mt -90.59 -45.87 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -54.99 -29.37 56.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -74.44 -30.48 61.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -57.24 -41.58 79.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.813 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -67.43 -39.57 85.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.82 -20.1 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.02 -24.5 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 41.6 tp -90.16 -36.17 14.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 13.6 p -57.97 -35.99 71.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -70.95 -30.98 67.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -74.36 -27.03 60.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -91.22 6.62 44.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.26 -19.98 43.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 19.2 mt -69.9 99.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.976 0.417 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.07 147.55 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.74 -18.19 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.797 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -82.62 -11.16 58.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -88.55 -8.55 54.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.75 113.88 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -98.64 135.49 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -75.67 134.01 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.69 -19.85 13.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 60.7 p -56.43 -22.69 33.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -92.06 -27.44 17.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -112.31 110.07 20.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -138.85 -51.5 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.67 172.48 10.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 35.4 m -54.64 174.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 pp -145.8 177.87 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -156.37 136.92 13.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -86.47 153.73 21.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -126.67 134.06 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.4 ttm . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.797 0.332 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.71 151.86 5.51 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.7 p -139.92 167.14 22.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.824 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -175.59 153.27 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -175.46 122.67 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -147.11 170.99 16.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -152.24 -177.03 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -125.67 138.02 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -130.77 -39.91 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -52.09 151.39 3.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.94 147.21 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -105.87 -26.79 11.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -160.14 173.84 36.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -105.18 131.94 52.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -140.15 170.22 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.77 -179.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -157.47 -179.15 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 p -130.02 154.11 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -11.48 59.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.0 p -53.86 -23.9 14.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.59 40.22 1.37 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -125.98 99.9 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.0 t30 56.67 46.25 20.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -100.1 141.41 32.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -128.2 96.83 4.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -79.7 -15.07 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -68.8 -11.62 60.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.78 -55.34 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.8 pt -55.13 -24.4 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -58.76 130.08 45.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.52 -178.82 16.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.54 119.67 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -106.82 179.34 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.24 143.14 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.51 99.73 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.135 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.404 ' HB ' ' HG ' ' A' ' 138' ' ' LEU . 6.8 mm -68.08 -68.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.2 mm -138.33 147.6 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 tp -120.17 132.18 55.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.82 129.91 31.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 86.8 p -162.46 148.06 12.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 18.1 t0 -68.93 80.12 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.73 74.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -54.84 -29.81 56.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.5 -6.37 46.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -50.2 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -94.0 40.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.4 -173.66 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -50.49 121.94 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 60.41 35.45 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.63 -160.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -118.79 -28.82 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -96.98 -16.38 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.47 78.39 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.16 154.43 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.84 159.41 28.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.7 tp -102.8 152.14 21.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -108.72 -172.78 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -81.2 108.26 14.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -64.19 139.73 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -105.66 99.62 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.6 m -65.48 122.35 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.3 mt -109.86 -167.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -58.67 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -127.54 -19.2 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -108.75 -179.4 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.49 122.8 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.97 148.34 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -149.66 134.76 18.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -114.93 151.82 33.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -128.78 172.48 11.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -124.64 114.58 19.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.5 p -127.14 157.28 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.153 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -105.98 125.77 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 -114.79 118.39 33.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 63.91 46.48 3.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 59.17 26.08 14.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -132.33 141.02 48.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.01 149.06 6.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.67 178.49 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -160.62 145.59 14.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.38 -179.45 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.4 p -127.52 128.7 46.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 17.9 mmt -129.1 157.25 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 p -150.31 100.4 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.59 124.29 30.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -122.4 164.67 17.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.24 155.6 39.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.3 p -142.04 171.35 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -57.64 -23.57 51.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -60.46 178.58 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.2 108.52 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.62 29.01 73.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.551 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -127.98 105.37 8.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -79.61 169.98 17.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.74 127.82 37.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -116.92 170.45 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.8 m -104.01 91.65 4.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.08 172.39 6.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -50.34 -26.42 4.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.93 169.5 27.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -49.88 120.93 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.52 170.61 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.7 135.21 20.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -104.84 135.97 45.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.6 p -142.21 176.66 8.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.6 mt -138.96 95.46 9.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.67 -48.64 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 108.96 15.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.3 t -105.5 88.43 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.08 51.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.65 -33.17 1.72 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -51.54 -42.29 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -120.64 -70.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -137.2 131.21 32.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 20.3 tp -92.38 150.29 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 4.8 mmm -129.86 131.03 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.99 138.07 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -120.37 112.93 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 tt -126.82 133.41 50.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.0 mt -117.81 135.26 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.49 119.13 33.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -111.34 99.77 8.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -147.6 159.87 43.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 63.94 34.71 11.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.25 19.35 63.97 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -149.32 157.15 43.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.8 t -144.42 159.94 41.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -147.58 152.23 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -95.59 117.47 30.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.9 tt -116.1 137.51 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.11 108.98 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -90.29 120.64 5.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.404 ' HG ' ' HB ' ' A' ' 41' ' ' ILE . 3.7 tp -93.19 121.33 34.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -114.2 160.09 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.76 150.29 22.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -50.32 -31.02 13.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 0.0 110.816 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.71 161.23 23.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.557 0.694 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -6.62 19.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.297 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -149.2 142.11 24.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 24.9 mt -108.95 141.2 41.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.2 t -65.47 179.64 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.5 m -79.26 -6.04 55.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.07 -32.62 17.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 84.8 mt -90.74 -47.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -31.05 43.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.84 -31.48 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -57.59 -44.22 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -65.1 -37.31 87.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -64.53 -18.41 64.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -81.17 -24.6 37.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 13.6 tp -90.31 -39.37 12.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 13.7 p -52.88 -34.59 55.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -70.94 -30.57 66.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -76.09 -24.4 55.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -93.26 6.65 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.31 -17.22 55.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.2 mt -73.0 99.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 148.34 3.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.6 tpt85 -58.57 -22.39 55.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.4 -25.62 54.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -71.49 -9.73 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.87 122.41 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.4 mp -112.33 114.92 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -71.24 131.91 44.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.78 -24.24 14.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 19.6 p -51.41 -38.5 53.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -103.84 29.99 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -152.76 115.74 4.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -172.16 112.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -150.12 150.52 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 37.6 t -108.51 -26.31 10.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 21.3 mt -91.54 167.93 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -114.33 122.52 46.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.83 170.19 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.062 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 66.73 12.82 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.458 -0.026 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.25 166.68 38.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -139.99 -179.99 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -143.45 -176.04 4.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -136.97 -178.23 5.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -161.02 173.12 15.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -151.82 -176.93 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.805 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -126.27 159.29 33.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -136.79 -54.69 0.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -52.15 155.86 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.04 -78.23 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -149.75 -177.29 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.84 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.57 132.65 6.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -125.0 115.25 20.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -140.26 168.72 19.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.77 179.36 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -170.29 -178.82 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -132.0 156.68 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -10.59 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.2 p -54.28 -24.55 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.5 40.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -127.41 100.28 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 t30 56.1 47.44 19.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -100.1 141.99 32.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -127.77 107.12 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 p -89.61 -12.69 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -71.56 -14.9 62.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -86.01 -55.61 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.0 pt -54.74 -25.08 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -56.87 142.08 42.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.14 -174.74 15.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' N ' HE21 ' A' ' 63' ' ' GLN . 1.2 mm-40 -56.4 124.29 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -109.4 -177.68 3.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -162.79 144.4 10.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 99.53 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.0 mm -67.2 -67.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.0 mm -139.53 145.81 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 tp -118.26 119.82 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -123.64 129.79 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.414 ' HB3' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -165.3 144.21 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.1 p30 -67.94 81.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.1 71.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -54.09 -30.57 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -72.96 -7.54 51.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.97 -50.41 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.89 40.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.63 -173.18 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.56 119.97 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 67.86 29.55 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.24 -163.52 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.7 -22.45 8.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -108.47 -14.82 14.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.92 60.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.89 149.57 39.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.5 159.54 33.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.9 tp -103.09 151.76 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.64 -171.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.413 HE21 ' N ' ' A' ' 37' ' ' GLU . 5.1 tt0 -80.82 108.21 14.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 mt -66.17 140.26 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -105.87 126.72 52.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.1 t -86.12 118.19 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -104.17 -175.54 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -48.02 -53.95 14.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -140.53 6.85 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.0 m -125.6 -179.65 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -147.23 121.78 9.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.5 t -89.08 115.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -115.4 134.44 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.66 152.85 33.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -129.92 -173.38 3.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -143.01 122.27 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.1 p -137.67 158.4 44.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.0 m -110.82 161.35 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -146.18 111.49 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 63.73 49.5 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 62.37 20.58 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -117.65 140.7 49.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.7 m -71.88 139.07 48.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.23 179.19 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -160.46 141.32 11.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.32 178.56 4.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 p -141.71 116.12 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.6 mmt -125.2 164.98 19.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.2 p -150.28 119.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.9 110.61 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.82 152.1 23.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -62.2 167.29 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.3 p -150.71 -179.81 7.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -78.21 -6.19 54.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -75.75 178.0 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.99 116.9 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.45 22.12 50.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.403 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -127.08 103.37 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -82.52 159.96 22.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.5 t -119.24 124.17 46.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.4 p -115.32 128.09 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.3 m -64.5 92.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.41 172.87 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.59 -27.46 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.01 164.18 27.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.523 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -49.73 120.95 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.27 169.93 23.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.97 126.9 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -99.41 131.04 45.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.4 p -136.89 175.15 9.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 47.7 mt -139.0 96.61 9.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.66 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.22 . . . . 0.0 112.365 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.98 109.19 15.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.0 t -104.57 89.1 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.52 50.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.51 -33.36 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -47.33 -45.56 24.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.776 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -121.87 -69.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -133.72 131.0 38.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.0 tp -92.7 150.75 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 ttt -126.8 136.45 52.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.72 140.73 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -126.7 112.41 15.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.8 tt -122.36 139.33 53.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.6 mt -125.62 131.63 71.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -121.8 133.67 54.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -120.55 99.72 6.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -137.41 156.43 48.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 60.47 28.06 17.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.25 6.21 68.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -129.32 151.19 50.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.982 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.6 t -141.98 160.11 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -150.96 152.73 33.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -89.75 108.25 19.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.414 ' HA ' ' HB3' ' A' ' 45' ' ' SER . 3.3 tm? -97.12 139.64 32.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 4.7 ttm -144.81 114.19 7.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -105.44 109.55 3.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.0 tp -80.56 120.58 24.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -112.89 156.2 23.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -144.97 151.27 23.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -53.52 -24.01 12.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.66 164.35 18.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -4.5 14.18 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.289 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -149.23 146.36 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 17.3 mt -112.83 149.3 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.2 t -76.07 163.25 27.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.6 m -62.71 -15.89 54.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.53 -32.77 28.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 87.8 mt -91.0 -48.24 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -53.3 -31.28 43.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.56 -32.06 69.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -58.55 -35.34 72.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -70.35 -28.33 65.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -77.21 -18.01 58.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -80.21 -25.98 39.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 53.1 tp -91.12 -37.76 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 11.9 p -51.76 -35.27 43.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -72.04 -33.89 68.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.05 -14.76 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -102.01 7.83 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.19 -10.21 69.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 60.3 mt -82.12 99.35 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.183 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.71 148.76 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -59.61 -21.58 60.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.9 -21.5 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -78.11 -4.47 47.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.5 mp -75.66 117.14 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp -107.09 126.02 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.39 129.64 36.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.03 -23.78 13.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 3.7 p -52.92 -29.3 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -111.46 30.02 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -146.14 116.38 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -173.97 123.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -175.75 154.58 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.52 -26.91 22.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.94 179.06 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -128.92 156.96 42.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -53.92 169.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.05 177.5 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 30.7 mtm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.69 -158.8 8.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 p -132.97 166.15 23.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -134.99 158.75 43.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -167.95 166.11 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -121.21 99.71 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -113.02 26.18 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -116.04 123.61 48.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -98.84 -58.64 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -151.73 167.1 29.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.82 147.86 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -103.46 -24.92 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.25 -150.41 0.38 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -170.18 137.51 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -118.85 170.02 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -69.78 -179.85 1.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.09 -179.53 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -130.95 160.02 35.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -68.39 -12.01 60.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p -55.78 -22.79 26.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.179 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.42 40.0 1.42 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -124.47 99.8 6.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.3 38.96 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -95.58 132.31 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -122.75 96.56 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.43 -16.1 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -66.23 -18.18 65.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -85.23 -57.37 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.0 pt -53.52 -26.28 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -55.34 148.57 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.76 -171.27 14.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.56 120.07 11.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -101.42 -177.06 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -162.19 142.72 10.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 99.11 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 mm -66.87 -68.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.2 mm -141.06 148.07 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 tp -119.11 127.82 53.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.05 129.61 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.417 ' HB2' ' HA ' ' A' ' 135' ' ' LEU . 33.1 t -171.41 149.6 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 21.4 t0 -69.65 81.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 169.19 65.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -43.01 -48.1 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -51.89 -38.99 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -47.59 70.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.83 51.64 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -176.54 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -52.21 -30.32 26.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -131.39 65.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.96 -165.09 19.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -119.1 -30.62 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -86.92 -14.18 42.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.71 59.52 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.53 153.59 33.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -73.5 147.22 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.6 tp -94.16 150.41 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.54 -171.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -78.71 126.48 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.7 mt -79.75 139.07 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -104.2 99.39 9.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.29 121.31 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.0 mt -109.78 -168.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -52.88 -53.08 54.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -134.75 -20.12 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 m -108.23 -179.11 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.87 127.23 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.0 t -82.74 148.08 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.041 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.11 137.23 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -117.75 151.87 36.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -129.52 170.22 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -118.17 128.35 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.6 p -150.01 142.81 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -99.95 160.65 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -150.08 121.92 8.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 62.79 45.53 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 60.71 24.54 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.64 143.37 51.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 31.9 m -70.54 144.79 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.96 179.47 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -160.81 144.06 13.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.52 177.53 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.5 p -130.12 135.87 48.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 15.2 mmt -138.16 157.26 46.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 p -149.94 113.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.4 100.87 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -93.86 141.77 28.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.8 163.53 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.7 p -148.54 179.87 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.06 -18.21 59.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -61.0 -171.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.06 99.73 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.3 25.77 67.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -118.08 117.15 28.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -79.78 170.34 16.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.2 p -126.1 94.61 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.92 148.68 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.4 m -99.99 93.19 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.93 173.05 6.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -48.39 -29.37 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.64 -91.54 1.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -160.22 133.27 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.39 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.42 HD21 ' N ' ' A' ' 107' ' ' ASN . 0.0 OUTLIER -160.94 166.9 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.0 128.52 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -98.37 141.75 30.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.7 p -146.12 177.84 8.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 73.1 mt -141.04 91.04 9.08 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -48.45 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -117.64 108.48 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 t -104.35 89.62 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.85 50.82 0.99 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -44.45 -34.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.45 -42.29 54.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -120.46 -70.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -139.23 132.44 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.3 tp -92.97 147.45 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 47.5 mmm -125.48 137.35 53.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -135.96 141.07 44.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -125.2 103.9 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 tt -114.17 130.53 56.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 54.3 mt -112.64 140.31 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -129.69 126.0 37.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.94 108.0 15.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -157.5 157.47 33.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.9 t70 65.43 27.75 11.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.09 10.4 73.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -139.43 148.66 43.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -138.84 159.98 40.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.7 159.44 38.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -104.34 106.72 17.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 45' ' ' SER . 3.2 tm? -90.15 139.86 30.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 17.4 mtt -135.6 108.84 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -99.88 117.56 5.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.56 125.14 29.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -119.01 149.86 40.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -147.81 153.89 25.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -50.74 -30.25 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.14 161.37 25.39 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -6.08 17.74 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.35 139.12 26.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 17.8 mt -109.17 147.0 33.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.4 t -69.78 179.97 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.9 m -81.47 -6.64 59.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.26 -31.49 16.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 92.6 mt -90.42 -44.37 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -53.79 -30.91 46.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.07 -30.37 63.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -61.55 -36.19 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -71.74 -41.77 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.02 -25.51 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -65.58 -51.86 56.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.25 -28.82 70.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 73.2 m -57.95 -70.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.81 -28.59 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -75.66 -21.82 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -102.38 7.89 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 97.52 -11.64 64.93 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 22.9 mt -84.28 97.86 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.917 0.389 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.81 148.76 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -58.84 -25.12 62.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -74.46 -20.35 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -83.18 2.09 37.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.12 109.6 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 2.1 mp -99.98 129.59 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.08 136.51 33.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -109.06 -16.4 14.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 15.7 t -53.36 -25.17 14.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -91.97 -29.99 16.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -111.12 109.63 19.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -140.58 -41.99 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -51.08 164.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.41 -54.26 28.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 4.5 pp -173.0 -178.83 1.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -149.34 160.4 43.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -72.27 170.47 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 174.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.885 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.5 mtm . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.04 144.95 9.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -140.03 167.41 22.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.8 p -174.09 -178.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -108.7 -31.86 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 63.43 57.1 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -105.68 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -169.51 133.75 1.36 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -151.76 -173.03 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.79 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -85.82 164.08 17.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.8 mp -141.36 147.01 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -162.89 124.34 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.1 88.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.402 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -162.28 -179.94 7.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -51.88 170.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -69.45 -179.95 1.85 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -153.79 -178.87 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -128.86 156.01 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 p -68.79 -10.63 57.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p -51.44 -26.46 8.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.197 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.63 40.02 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.575 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -131.33 100.67 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 t30 63.4 41.41 7.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -99.91 143.0 30.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -130.12 95.54 3.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.2 p -78.93 -9.31 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.38 -11.11 59.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -89.34 -52.78 4.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.2 pt -55.91 -23.48 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -61.13 129.18 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.01 179.21 15.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.547 ' N ' HE21 ' A' ' 63' ' ' GLN . 62.3 mt-10 -51.73 119.84 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -106.18 -178.89 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -163.03 144.17 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -95.04 99.93 11.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.3 mm -68.54 -68.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.7 mm -140.36 153.5 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tp -119.99 133.15 55.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.95 131.75 31.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' A' ' 135' ' ' LEU . 63.6 p -170.32 147.96 3.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 17.2 t0 -68.11 80.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.19 74.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.5 mmm-85 -55.1 -28.45 52.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -75.24 -6.28 48.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -100.51 -46.81 5.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -100.58 44.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.38 -169.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.45 -56.48 6.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -100.78 58.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.93 176.3 37.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -118.25 -18.76 9.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -98.3 -19.71 17.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.8 ttp85 -76.15 67.43 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.806 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.34 154.05 35.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.97 155.84 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.3 tp -102.88 152.1 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.7 -172.56 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.547 HE21 ' N ' ' A' ' 37' ' ' GLU . 8.7 tt0 -82.08 108.35 15.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 mt -61.63 139.2 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.38 100.47 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.63 108.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.6 mt -94.68 -168.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -56.28 13.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -137.73 7.83 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 m -126.99 -178.94 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.04 118.77 7.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.1 t -86.0 119.49 34.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.66 135.39 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.83 153.04 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -132.21 169.16 16.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -124.17 128.36 49.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.8 p -150.09 148.9 29.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -103.71 161.29 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -148.45 121.74 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 58.59 48.45 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 58.99 32.57 22.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -134.64 120.82 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 73.6 m -54.87 145.48 19.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.45 -179.3 7.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.798 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.87 137.46 9.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.92 178.94 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 p -139.49 123.39 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.5 mmt -128.83 158.99 37.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 83.4 t -147.37 115.81 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.74 117.07 25.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -105.66 162.01 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -71.65 164.56 25.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 48.6 p -150.81 -179.62 7.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -82.47 0.67 41.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -174.17 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.78 99.1 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.38 14.36 53.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.533 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -109.75 107.51 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -80.02 160.82 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.5 p -120.43 116.32 25.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.804 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.94 135.4 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.5 m -73.0 92.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.08 172.67 6.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -49.35 -26.87 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.96 163.09 28.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.552 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -49.84 119.19 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.86 165.5 36.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.39 126.74 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -98.71 129.42 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.2 p -135.71 175.82 9.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.6 mt -140.88 92.71 8.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.702 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -48.86 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.04 108.8 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 t -107.07 88.63 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.74 49.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -43.94 -31.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -44.59 -49.54 10.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -123.14 -64.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -132.21 130.34 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 17.5 tp -93.27 147.98 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.5 mtm -126.2 137.98 53.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.9 160.12 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -142.65 109.3 5.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.1 tt -120.8 132.82 55.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.4 mt -118.76 131.98 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -122.96 128.68 50.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -115.45 99.19 7.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -138.47 154.92 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 63.36 23.25 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.69 1.35 83.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -125.02 149.51 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.61 159.79 41.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.174 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -153.33 157.44 40.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -95.49 109.65 21.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.403 ' HA ' ' HB3' ' A' ' 45' ' ' SER . 3.2 tm? -95.78 140.28 30.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.08 112.23 6.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -104.03 112.35 4.12 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.406 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tp -79.76 132.79 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -127.19 157.22 40.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -148.99 152.97 24.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.427 ' HG2' ' HG2' ' A' ' 142' ' ' GLU . 0.1 OUTLIER -55.97 -23.77 34.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.427 ' HG2' ' HG2' ' A' ' 141' ' ' ARG . 0.8 OUTLIER -106.93 162.63 19.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.3 Cg_endo -69.81 -4.78 14.75 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -159.03 147.84 18.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 46.7 mt -108.98 157.82 18.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.0 t -85.86 -179.6 6.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.3 t -77.03 -4.7 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.7 -36.8 14.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 91.7 mt -91.09 -43.32 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -27.75 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.95 -30.86 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -60.24 -31.09 69.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -68.9 -37.35 78.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.46 83.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -50.59 -31.07 14.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.5 tp -91.98 -26.48 18.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.6 -37.92 89.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.61 -25.65 57.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -79.15 -33.15 44.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -84.17 0.31 49.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 98.92 -20.36 50.64 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 47.9 mt -67.13 96.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.088 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.22 147.7 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -61.25 -18.94 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -79.42 -13.43 59.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -85.9 -9.29 57.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.01 113.74 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 1.5 mp -105.87 111.87 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -84.76 116.66 23.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.5 28.44 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 34.1 p -52.14 -40.04 60.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -120.32 30.57 6.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -130.46 -177.84 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.99 119.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -165.81 178.86 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.34 82.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 80.0 mt -152.63 -176.87 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -146.3 117.09 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.98 169.97 10.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.65 -75.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.919 0.39 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.587 ' O ' HG22 ' A' ' 114' ' ' THR . . . -164.2 -179.48 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.126 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -136.49 166.61 23.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -72.78 -8.06 53.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.8 p -54.25 -25.11 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.31 39.88 1.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -128.16 99.9 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.6 t30 55.92 48.51 17.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CD2' HG21 ' A' ' 114' ' ' THR . 39.2 t80 -99.15 135.07 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -123.83 110.57 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.824 HG23 HD11 ' A' ' 34' ' ' ILE . 7.1 p -90.17 -13.71 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -70.62 -14.16 62.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -87.52 -55.45 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.824 HD11 HG23 ' A' ' 31' ' ' VAL . 24.1 pt -54.58 -25.14 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -58.5 127.3 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.31 -175.64 19.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.65 119.99 7.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.796 0.332 . . . . 0.0 110.926 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.768 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.7 m95 -108.24 176.75 5.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -163.05 146.96 11.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.44 102.54 14.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.629 HG21 HD12 ' A' ' 145' ' ' LEU . 6.8 mm -70.39 -67.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.604 HD13 ' O ' ' A' ' 41' ' ' ILE . 27.4 mm -136.86 144.34 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -113.41 119.15 36.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.567 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -125.83 130.0 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.601 ' HB2' HD22 ' A' ' 135' ' ' LEU . 36.5 t -168.65 146.84 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 9.1 p30 -68.69 81.41 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.519 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.52 71.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.825 ' HD2' HD11 ' A' ' 168' ' ' ILE . 4.1 mmm180 -54.67 -30.3 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -73.71 -6.43 46.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.67 -49.85 4.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.808 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -94.87 40.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -173.93 2.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -51.01 118.66 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 60.06 41.93 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.3 -144.96 0.26 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -124.55 -36.7 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -94.66 -7.7 40.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -74.78 72.65 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.629 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -127.83 155.75 43.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.45 156.78 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 38' ' ' TRP . 44.2 tp -102.8 150.67 23.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.97 -172.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -80.85 108.0 14.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.768 HD12 ' CD1' ' A' ' 38' ' ' TRP . 3.8 mt -62.44 139.89 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -106.33 99.42 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.505 HG22 HG22 ' A' ' 31' ' ' VAL . 84.8 t -64.22 127.15 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 72' ' ' VAL . 13.9 mt -115.15 -167.37 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.17 -53.59 51.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.81 -20.51 2.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.422 ' HB2' HD12 ' A' ' 67' ' ' LEU . 9.3 m -108.15 -179.29 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.84 124.18 6.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.443 HG23 HD11 ' A' ' 67' ' ' LEU . 51.2 t -79.76 146.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.522 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -149.35 135.54 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -117.57 152.69 34.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.554 ' HB3' HD22 ' A' ' 59' ' ' LEU . 93.6 m-85 -129.96 171.09 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -116.58 112.32 21.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.629 ' CG2' HD23 ' A' ' 59' ' ' LEU . 69.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.889 0.375 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -111.29 174.83 5.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.8 p -124.42 132.2 53.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -132.94 168.78 17.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.6 t -150.29 100.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.19 117.59 20.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -114.14 178.7 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -90.28 169.7 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 100' ' ' SER . 47.9 p -151.45 179.93 7.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.174 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.66 -19.77 65.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -58.54 -177.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.14 104.05 12.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.22 30.65 78.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 110' ' ' THR . 7.7 tt0 -126.86 109.83 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 110.958 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -80.63 159.48 25.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.531 ' HB3' HG21 ' A' ' 93' ' ' THR . 76.6 p -119.36 115.53 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.51 135.76 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.6 m -72.97 92.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.84 172.7 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -48.62 -28.15 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.77 164.27 27.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -49.74 118.85 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.669 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -155.54 169.45 24.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.55 125.41 16.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.847 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.3 t80 -99.11 128.14 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 98' ' ' GLU . 5.3 p -135.23 -179.92 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 121' ' ' MET . 21.8 mt -139.21 95.5 9.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.069 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -48.87 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.748 2.299 . . . . 0.0 112.353 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.402 ' HE3' HD12 ' A' ' 156' ' ' LEU . 0.1 OUTLIER -118.25 108.38 15.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.638 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -107.02 89.62 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.2 52.85 0.78 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.65 -32.92 1.63 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.28 -43.77 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -120.59 -70.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.603 ' CD2' HG23 ' A' ' 149' ' ' ILE . 24.6 p90 -136.69 133.5 36.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 114' ' ' THR . 23.4 tp -91.65 150.71 21.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.564 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.4 mtm -132.09 136.12 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -131.37 152.31 50.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.582 ' CE1' HD11 ' A' ' 125' ' ' ILE . 12.6 t-160 -134.14 111.97 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.847 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.0 tt -122.18 138.54 54.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.582 HD11 ' CE1' ' A' ' 123' ' ' HIS . 20.5 mt -126.88 130.88 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -121.69 127.06 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -114.55 100.09 8.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.45 153.64 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 61.26 33.37 19.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.99 11.51 58.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -133.85 146.44 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -138.42 160.09 40.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.28 151.18 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -91.32 107.67 19.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.696 HD13 ' N ' ' A' ' 136' ' ' MET . 3.1 tm? -97.82 139.84 33.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.696 ' N ' HD13 ' A' ' 135' ' ' LEU . 20.0 mtp -144.06 115.34 7.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -105.56 111.94 3.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 139' ' ' TYR . 6.6 tp -79.67 128.32 33.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.495 ' N ' HD12 ' A' ' 138' ' ' LEU . 19.3 m-85 -120.94 159.04 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.59 152.82 24.44 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -50.77 -30.04 13.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.6 OUTLIER -109.33 161.74 22.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.848 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.8 Cg_endo -69.74 -6.84 19.54 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -147.46 141.2 25.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.629 HD12 HG21 ' A' ' 41' ' ' ILE . 25.6 mt -108.81 144.99 35.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.8 t -68.67 -179.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.5 m -80.36 -6.97 58.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -31.21 17.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.603 HG23 ' CD2' ' A' ' 119' ' ' PHE . 91.9 mt -90.88 -45.04 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -56.0 -27.96 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -74.97 -30.27 61.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -57.56 -45.7 84.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 44' ' ' ALA . 9.3 t80 -63.43 -38.85 92.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.591 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -60.78 -18.27 54.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -80.79 -26.56 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.631 ' O ' HD23 ' A' ' 156' ' ' LEU . 3.6 tt -90.72 -35.88 14.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 11.1 p -54.25 -34.39 60.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -73.04 -25.65 61.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.83 -31.01 56.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -87.27 5.54 37.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.28 -10.64 73.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 29.5 mt -77.96 99.49 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.782 0.325 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.16 148.65 2.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.591 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 0.1 OUTLIER -60.43 -21.54 62.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.683 ' HB2' HD12 ' A' ' 163' ' ' LEU . 5.1 mm-40 -75.93 -25.16 55.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.553 ' O ' HD12 ' A' ' 168' ' ' ILE . 35.0 m-20 -72.55 -9.41 58.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.567 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.6 mp -72.32 118.4 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.825 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -106.1 126.52 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.481 ' HA ' HD12 ' A' ' 42' ' ' ILE . 1.7 p30 -78.86 132.37 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.573 ' O ' HG22 ' A' ' 114' ' ' THR . . . -161.66 -179.34 7.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 p -133.31 156.36 47.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 p -69.71 -10.74 59.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.4 p -53.92 -24.28 15.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.59 40.09 1.38 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -129.12 99.93 5.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 t30 59.68 43.79 15.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CD2' HG21 ' A' ' 114' ' ' THR . 30.1 t80 -97.86 142.36 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.05 95.99 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.844 HG23 HD11 ' A' ' 34' ' ' ILE . 7.3 p -77.78 -12.17 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.23 -22.3 62.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -79.24 -53.6 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.844 HD11 HG23 ' A' ' 31' ' ' VAL . 22.5 pt -58.86 -20.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -63.14 125.85 25.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.83 -177.3 18.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -56.02 119.74 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.814 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.1 m95 -105.58 -178.66 3.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -162.5 148.2 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.0 m -93.53 99.51 11.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.852 HG21 HD12 ' A' ' 145' ' ' LEU . 10.6 mm -68.88 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.667 HG12 HG22 ' A' ' 41' ' ' ILE . 22.0 mm -139.17 150.49 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.674 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.7 tp -122.03 111.85 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.617 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -119.27 130.44 55.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.052 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.509 ' OG ' HD12 ' A' ' 51' ' ' ILE . 37.1 p -168.88 149.68 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.1 p30 -68.88 80.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.596 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.48 73.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.749 ' HD2' HD11 ' A' ' 168' ' ' ILE . 0.9 OUTLIER -55.29 -28.3 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.889 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.07 -5.59 47.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 -47.33 4.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.611 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -100.53 44.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -170.4 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -48.87 -58.72 4.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -96.06 40.28 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.1 176.36 37.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -117.95 -16.34 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -101.51 -13.44 17.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.463 ' HE ' HD13 ' A' ' 170' ' ' LEU . 0.0 OUTLIER -74.2 72.34 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.681 HD22 ' CB ' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -117.75 157.27 26.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -86.22 126.94 34.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.468 HD12 ' H ' ' A' ' 62' ' ' GLU . 44.7 tp -73.4 152.27 40.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -109.45 -171.54 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -81.4 107.8 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.814 HD12 ' CD1' ' A' ' 38' ' ' TRP . 6.4 mt -62.84 138.22 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -108.59 101.76 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.432 HG22 HG22 ' A' ' 31' ' ' VAL . 98.7 t -63.99 109.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.639 HD11 HG23 ' A' ' 72' ' ' VAL . 36.3 mt -99.23 -167.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -58.58 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.66 10.94 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -131.05 -179.8 5.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.507 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -147.96 127.01 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.639 HG23 HD11 ' A' ' 67' ' ' LEU . 97.5 t -90.93 113.64 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.575 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.3 pt? -122.75 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -111.9 152.18 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.681 ' CB ' HD22 ' A' ' 59' ' ' LEU . 18.6 m-85 -121.79 167.8 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -120.25 106.61 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.803 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.653 ' CG2' HD23 ' A' ' 59' ' ' LEU . 61.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.604 HD12 ' SD ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -109.76 179.97 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -132.01 122.98 26.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.604 ' SD ' HD12 ' A' ' 86' ' ' LEU . 2.6 mmt -123.65 164.21 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 66.1 t -149.27 109.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.44 109.66 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.44 147.54 26.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -52.6 170.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.5 p -143.8 -179.6 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.46 -21.52 65.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -85.08 172.03 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.16 98.95 8.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.66 -24.63 13.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.542 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.69 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.5 tt0 -91.84 107.99 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.507 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.2 m-85 -89.09 159.0 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.3 p -121.3 118.36 29.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.0 p -108.94 129.94 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.5 m -64.99 91.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.31 172.18 6.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -50.77 -26.31 5.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.53 162.28 27.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -50.18 119.36 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.604 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -154.65 168.29 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.79 123.47 15.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.842 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.2 t80 -99.84 129.98 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.69 HG22 ' HA ' ' A' ' 98' ' ' GLU . 8.9 p -135.2 174.88 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.19 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 121' ' ' MET . 30.2 mt -136.81 90.29 16.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 111.162 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.1 Cg_endo -69.76 -49.08 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.743 2.295 . . . . 0.0 112.279 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.71 108.51 17.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.674 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.7 t -110.66 89.75 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.76 52.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -44.13 -33.11 1.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -49.44 -44.36 45.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -120.99 -69.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.576 ' CD2' HG23 ' A' ' 149' ' ' ILE . 23.6 p90 -136.39 132.73 35.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 114' ' ' THR . 16.1 tp -92.03 147.37 23.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.8 mtm -127.62 140.78 51.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.88 152.12 51.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -132.79 114.7 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.842 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.1 tt -124.91 151.98 44.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.9 mt -141.16 125.51 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -117.81 125.76 51.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -112.06 100.47 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -138.67 157.04 46.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 60.18 28.68 18.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.67 6.69 67.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -130.06 153.11 48.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.966 0.412 . . . . 0.0 110.826 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -142.91 158.12 43.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.196 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.4 ' HE2' HD23 ' A' ' 135' ' ' LEU . 3.1 p90 -150.2 152.44 34.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -91.38 109.1 20.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -97.15 139.91 32.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.665 ' N ' HD13 ' A' ' 135' ' ' LEU . 27.6 mtp -143.03 115.46 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.674 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -105.09 116.02 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.57 127.6 32.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.623 ' N ' HD23 ' A' ' 138' ' ' LEU . 16.9 m-85 -121.46 148.1 44.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.15 151.96 24.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -50.84 -31.17 16.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.2 mt-10 -108.06 161.44 23.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.4 Cg_endo -69.77 -6.45 18.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -147.25 139.43 24.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.852 HD12 HG21 ' A' ' 41' ' ' ILE . 18.1 mt -108.98 147.39 32.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.1 t -70.52 177.62 3.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.0 m -79.49 -5.11 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -90.6 -31.72 16.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 119' ' ' PHE . 84.7 mt -90.66 -44.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -53.92 -30.32 45.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.43 -30.32 63.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -62.37 -37.71 86.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.617 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 9.5 t80 -71.05 -37.48 72.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.44 -21.86 62.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.93 -52.93 37.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.542 HD23 ' CE ' ' A' ' 136' ' ' MET . 9.8 tp -63.92 -26.02 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.85 -70.22 0.19 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.54 -27.39 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.11 -28.99 63.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -93.42 -4.26 51.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 107.66 3.55 34.7 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 45' ' ' SER . 45.6 mt -98.18 96.39 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.38 159.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.768 ' HA ' HD13 ' A' ' 167' ' ' ILE . 3.5 tpp85 -66.79 -29.76 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.635 ' HB2' HD12 ' A' ' 163' ' ' LEU . 19.0 mt-10 -66.82 -13.68 61.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.488 ' O ' HD12 ' A' ' 168' ' ' ILE . 52.1 m-20 -89.37 -8.43 53.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.768 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -74.15 109.38 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.749 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.6 mp -100.13 109.41 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 42' ' ' ILE . 2.2 p30 -87.5 125.64 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.463 HD13 ' HE ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.579 ' O ' HG22 ' A' ' 114' ' ' THR . . . -170.29 -179.34 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -137.5 164.19 29.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 p -69.85 -9.97 56.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 p -53.08 -25.99 14.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 40.26 1.37 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -133.72 102.1 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.12 39.22 10.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.621 ' CD2' HG21 ' A' ' 114' ' ' THR . 31.2 t80 -98.56 131.97 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -125.48 96.4 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.922 HG23 HD11 ' A' ' 34' ' ' ILE . 8.8 p -75.23 -15.68 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.4 -18.58 65.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -83.9 -53.75 5.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.922 HD11 HG23 ' A' ' 31' ' ' VAL . 34.2 pt -58.14 -21.19 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -60.79 125.54 24.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.18 177.7 15.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -51.18 119.64 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.925 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.844 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.6 m95 -105.15 178.89 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -162.64 144.5 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.823 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.76 99.84 12.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.614 HG21 HD12 ' A' ' 145' ' ' LEU . 7.6 mm -67.49 -66.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.63 HG23 ' HA ' ' A' ' 169' ' ' ASP . 23.8 mm -140.14 144.14 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.697 HD12 ' HA2' ' A' ' 137' ' ' GLY . 5.1 tp -114.66 137.75 51.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -141.95 129.88 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.515 ' OG ' HD12 ' A' ' 51' ' ' ILE . 94.5 p -164.26 147.72 9.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 44.7 t0 -68.66 79.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.594 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.5 77.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.724 ' HD2' HD11 ' A' ' 168' ' ' ILE . 15.2 mmm-85 -55.25 -27.72 48.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -75.89 -5.67 47.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 -44.4 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.706 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -104.31 46.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.1 -171.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -49.13 -52.18 27.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -105.74 56.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.26 178.93 38.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -116.83 -20.56 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.616 ' CD2' HD13 ' A' ' 135' ' ' LEU . 3.4 m-85 -91.02 -12.33 36.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.73 ' HG2' HD11 ' A' ' 170' ' ' LEU . 7.7 tmm_? -72.82 77.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.59 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -124.87 154.62 40.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.17 131.15 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 62' ' ' GLU . 41.9 tp -72.06 152.06 42.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' H ' HD12 ' A' ' 61' ' ' LEU . 44.0 mm-40 -109.03 -173.29 2.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -80.54 107.86 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.844 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.4 mt -62.99 138.23 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -108.28 101.2 10.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.553 HG22 HG22 ' A' ' 31' ' ' VAL . 81.8 t -62.51 116.24 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.534 HD11 HG23 ' A' ' 72' ' ' VAL . 54.7 mt -107.47 -167.78 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.57 -55.35 11.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -144.23 13.31 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 m -132.52 179.6 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.487 ' HB2' HG23 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -148.99 122.51 9.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.534 HG23 HD11 ' A' ' 67' ' ' LEU . 59.6 t -86.6 112.69 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.3 pt? -121.5 131.7 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -111.92 151.23 29.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.55 ' CB ' HD22 ' A' ' 59' ' ' LEU . 18.0 m-85 -120.17 161.96 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -112.1 104.21 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.59 ' CG2' HD23 ' A' ' 59' ' ' LEU . 59.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.421 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -107.64 -179.79 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.883 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -125.65 113.1 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.0 mmt -115.44 146.39 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 89' ' ' VAL . 4.1 p -137.36 116.83 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.57 112.72 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.042 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -112.09 152.72 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -56.68 163.85 1.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.579 HG21 ' HB3' ' A' ' 100' ' ' SER . 67.3 p -149.47 177.82 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -60.26 -24.09 64.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -65.71 172.71 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.08 110.15 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.64 20.2 78.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.642 ' HA ' HG22 ' A' ' 110' ' ' THR . 4.7 tt0 -126.89 105.11 8.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -79.71 169.76 17.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.579 ' HB3' HG21 ' A' ' 93' ' ' THR . 94.9 p -131.21 130.96 43.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.03 170.29 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.0 m -103.42 91.55 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.5 171.7 7.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.04 -26.22 5.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.26 169.8 26.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -50.68 121.73 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.55 170.43 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.45 138.98 21.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.878 ' HB2' HD12 ' A' ' 124' ' ' LEU . 3.7 t80 -107.26 138.03 44.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 98' ' ' GLU . 13.0 p -143.82 173.06 12.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.476 HD11 ' HZ ' ' A' ' 109' ' ' PHE . 52.8 mt -137.81 90.06 14.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.83 -48.6 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.435 ' HD2' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -113.31 108.59 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.682 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -109.69 88.67 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.83 52.39 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.65 -33.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -51.72 -41.94 61.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -120.62 -70.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 149' ' ' ILE . 47.3 p90 -138.0 132.9 32.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 114' ' ' THR . 18.0 tp -93.25 148.51 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.643 ' HE2' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -128.5 136.0 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -128.55 144.2 51.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.605 ' CE1' HD11 ' A' ' 125' ' ' ILE . 4.8 t60 -123.98 111.51 16.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.878 HD12 ' HB2' ' A' ' 109' ' ' PHE . 6.1 tt -128.31 126.99 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.605 HD11 ' CE1' ' A' ' 123' ' ' HIS . 7.8 mt -116.46 139.86 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -126.52 121.81 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -109.15 99.88 9.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -144.17 160.39 41.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.8 t0 63.45 34.13 13.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.67 18.58 64.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -148.64 160.26 43.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.1 t -145.81 159.63 42.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.512 ' HE2' HD12 ' A' ' 135' ' ' LEU . 0.7 OUTLIER -148.91 151.96 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.824 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -94.13 121.9 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.616 HD13 ' CD2' ' A' ' 57' ' ' PHE . 4.4 tt -120.6 139.21 53.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 1.6 mtm -136.99 109.35 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.697 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -90.74 113.69 4.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.643 HD13 ' HE2' ' A' ' 121' ' ' MET . 4.4 tp -82.86 130.21 35.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.578 ' N ' HD12 ' A' ' 138' ' ' LEU . 18.3 m-85 -122.95 160.04 27.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -151.78 153.12 24.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.566 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -50.73 -28.7 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.0 OUTLIER -114.12 162.37 23.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.681 0.753 . . . . 0.0 110.908 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.3 Cg_endo -69.65 -5.94 17.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.41 138.78 29.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.614 HD12 HG21 ' A' ' 41' ' ' ILE . 20.8 mt -108.87 145.43 35.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.8 t -66.97 167.9 10.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.447 ' HA ' ' HG2' ' A' ' 150' ' ' LYS . 7.9 t -71.85 -9.7 58.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -25.67 20.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.623 HG23 ' CD2' ' A' ' 119' ' ' PHE . 75.4 mt -90.88 -47.23 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' LYS . . . . . 0.447 ' HG2' ' HA ' ' A' ' 147' ' ' SER . 2.7 ptpp? -53.64 -29.86 40.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -70.2 -32.04 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -67.42 -19.83 65.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.552 ' HB2' HD22 ' A' ' 138' ' ' LEU . 9.8 t80 -80.2 -43.09 22.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.85 -25.35 56.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -65.33 -54.55 27.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.435 HD22 ' HD2' ' A' ' 113' ' ' LYS . 14.7 tp -63.06 -26.45 68.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 93.6 m -61.81 -66.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -60.33 -35.44 75.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.32 -28.12 66.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -95.23 -3.73 47.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 103.4 19.67 12.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.65 103.82 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.606 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.08 159.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.768 ' HA ' HD13 ' A' ' 167' ' ' ILE . 3.4 tpp85 -68.84 -30.22 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.606 ' HB2' HD12 ' A' ' 163' ' ' LEU . 3.0 mm-40 -67.22 -15.81 63.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -85.0 -7.22 59.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.768 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.8 mp -78.78 110.1 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.724 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.6 mp -104.86 114.3 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.63 ' HA ' HG23 ' A' ' 42' ' ' ILE . 14.6 m-20 -72.41 130.79 41.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.73 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.4 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.857 0.36 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.613 ' O ' HG22 ' A' ' 114' ' ' THR . . . -154.63 -179.32 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.97 156.78 46.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.5 p -67.74 -11.89 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -53.08 -24.73 10.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.52 40.09 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -125.67 100.06 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.2 t30 55.96 47.01 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CD2' HG21 ' A' ' 114' ' ' THR . 22.3 t80 -100.02 141.74 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -129.69 103.87 7.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.815 HG23 HD11 ' A' ' 34' ' ' ILE . 9.9 p -84.56 -11.92 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -71.63 -17.53 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -83.78 -55.56 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.815 HD11 HG23 ' A' ' 31' ' ' VAL . 22.8 pt -54.95 -25.59 16.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -54.72 148.12 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.63 -170.0 13.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -65.53 122.81 18.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.793 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.6 m95 -104.3 -176.28 3.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -162.25 141.13 9.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 m -88.78 99.64 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.856 HG21 HD12 ' A' ' 145' ' ' LEU . 15.7 mm -69.43 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.69 HG12 HG22 ' A' ' 41' ' ' ILE . 23.7 mm -139.51 149.85 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.463 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.3 tp -119.05 123.18 43.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -129.22 129.42 44.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.525 ' OG ' HD12 ' A' ' 51' ' ' ILE . 66.2 p -170.15 148.62 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 16.8 t0 -68.84 80.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.629 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.22 74.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.753 ' HD2' HD11 ' A' ' 168' ' ' ILE . 11.5 mmm-85 -54.71 -28.66 49.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -75.17 -6.04 47.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -100.58 -43.53 6.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -106.49 46.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -173.2 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -50.21 -42.26 51.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -118.85 68.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -106.41 -168.19 22.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -118.84 -28.8 5.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -90.44 -13.23 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 72.1 2.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.643 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -128.86 149.72 50.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.58 148.06 43.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.747 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.3 tp -89.5 153.59 20.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -108.86 -171.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -80.52 108.57 14.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.793 HD12 ' CD1' ' A' ' 38' ' ' TRP . 28.5 mt -71.34 140.62 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -107.82 134.73 50.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -90.66 119.33 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.767 HD21 HG23 ' A' ' 72' ' ' VAL . 2.1 mm? -109.3 -171.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -56.25 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -143.67 12.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.57 ' C ' HD23 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -125.31 -179.05 4.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.57 HD23 ' C ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -150.62 114.61 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.767 HG23 HD21 ' A' ' 67' ' ' LEU . 41.6 t -81.03 114.42 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.747 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.1 pt? -117.63 135.44 53.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -118.99 152.5 36.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.747 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 68.1 m-85 -130.36 177.54 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -131.31 129.1 41.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.643 ' CG2' HD23 ' A' ' 59' ' ' LEU . 16.9 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.583 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.6 OUTLIER -101.26 178.95 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.3 p -140.95 117.15 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.583 ' CE ' HD12 ' A' ' 86' ' ' LEU . 23.5 mmt -121.2 165.01 16.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 89' ' ' VAL . 4.4 p -150.0 117.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.31 113.74 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.8 169.36 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -76.8 163.12 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 p -144.96 -179.96 6.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.34 -7.49 58.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -73.09 179.86 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.31 100.55 9.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.44 27.02 64.31 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.687 ' HA ' HG22 ' A' ' 110' ' ' THR . 4.7 tt0 -131.86 109.5 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -87.48 159.17 18.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t -113.58 122.88 48.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.9 p -115.81 130.66 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.5 m -69.69 92.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.41 172.64 6.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -49.52 -27.52 4.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.53 162.46 27.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -49.41 121.58 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.701 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.01 170.22 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.44 126.43 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.832 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.7 t80 -99.15 130.78 45.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.687 HG22 ' HA ' ' A' ' 98' ' ' GLU . 9.7 p -136.92 175.7 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 121' ' ' MET . 43.5 mt -138.85 94.78 9.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.676 0.75 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.1 Cg_endo -69.77 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.277 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.04 109.23 16.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.63 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.9 t -107.28 89.07 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.68 52.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.42 -33.39 2.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -50.24 -42.92 52.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -120.83 -69.01 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.568 ' CD1' HG23 ' A' ' 149' ' ' ILE . 26.3 p90 -138.62 131.76 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.4 tp -92.35 145.83 24.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.58 ' CE ' HD22 ' A' ' 156' ' ' LEU . 13.3 mtp -127.11 138.13 53.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.65 157.66 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.53 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.4 t-160 -140.2 108.49 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.832 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.5 tt -119.38 138.77 52.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.53 HD11 ' CE1' ' A' ' 123' ' ' HIS . 20.3 mt -125.68 129.41 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -119.52 133.93 55.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -120.4 99.03 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -136.86 154.9 50.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.4 t0 62.02 27.28 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.89 5.52 70.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.525 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -128.95 149.33 50.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.015 0.436 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.1 t -139.62 159.96 40.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -150.45 154.23 37.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -91.12 109.46 20.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 136' ' ' MET . 3.3 tm? -97.86 140.33 32.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.653 ' N ' HD13 ' A' ' 135' ' ' LEU . 1.5 mtp -146.17 113.94 6.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.463 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -104.81 116.33 5.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.615 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.65 126.93 31.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.615 ' N ' HD23 ' A' ' 138' ' ' LEU . 19.2 m-85 -120.44 151.4 39.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -148.71 147.86 18.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -31.65 14.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -103.16 162.71 19.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.6 Cg_endo -69.8 -6.92 19.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -150.74 149.91 30.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.856 HD12 HG21 ' A' ' 41' ' ' ILE . 21.6 mt -115.86 141.37 48.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.6 t -67.59 179.1 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.3 m -78.76 -4.14 47.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -90.29 -33.03 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.569 HG22 HD13 ' A' ' 145' ' ' LEU . 87.3 mt -91.22 -45.85 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -53.67 -29.9 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -72.73 -31.53 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -59.37 -47.64 84.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 14.2 t80 -63.6 -22.78 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.715 ' HB1' ' CD ' ' A' ' 164' ' ' ARG . . . -80.86 -16.24 54.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -79.78 -28.18 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.58 HD22 ' CE ' ' A' ' 121' ' ' MET . 1.1 tp -91.64 -34.29 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 8.8 p -49.99 -31.96 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.63 -42.03 68.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -66.43 -16.46 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -98.47 7.67 45.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.15 -9.39 69.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 13.4 mt -84.17 103.28 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 111.185 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.5 150.07 3.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.715 ' CD ' ' HB1' ' A' ' 154' ' ' ALA . 1.0 OUTLIER -61.25 -22.98 65.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.642 ' HB2' HD12 ' A' ' 163' ' ' LEU . 17.0 mt-10 -78.26 -25.03 46.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.561 ' O ' HD12 ' A' ' 168' ' ' ILE . 7.8 m-20 -69.91 -10.81 59.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.586 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.6 mp -70.38 118.79 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.753 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -103.95 112.29 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.664 ' HA ' HD12 ' A' ' 42' ' ' ILE . 16.1 p-10 -81.06 126.17 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.821 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.872 0.368 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.658 ' O ' HG22 ' A' ' 114' ' ' THR . . . -167.35 -178.64 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p -129.79 157.95 40.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -7.79 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.2 p -50.97 -26.72 6.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.75 40.54 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.71 105.87 5.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.9 t30 63.0 39.63 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CD2' HG21 ' A' ' 114' ' ' THR . 31.0 t80 -100.0 140.49 34.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.85 95.65 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.965 HG23 HD11 ' A' ' 34' ' ' ILE . 9.6 p -77.52 -17.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.074 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -65.13 -15.1 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -88.16 -57.04 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.965 HD11 HG23 ' A' ' 31' ' ' VAL . 37.6 pt -52.79 -26.51 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.514 ' CG ' HG22 ' A' ' 66' ' ' VAL . 62.0 t30 -57.95 127.04 30.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.89 179.09 15.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -51.66 119.59 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.78 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.3 m95 -107.86 176.31 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -162.59 144.16 10.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.63 100.0 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.567 HG21 ' HB2' ' A' ' 145' ' ' LEU . 7.6 mm -66.0 -68.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 41' ' ' ILE . 29.0 mm -139.94 147.04 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.64 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.6 tp -118.34 128.01 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.519 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -134.05 127.44 32.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.663 ' OG ' HD22 ' A' ' 135' ' ' LEU . 2.9 m -163.23 149.26 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 17.0 t0 -68.98 81.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.566 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 165.78 79.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HD2' HD11 ' A' ' 168' ' ' ILE . 13.8 mmm-85 -56.3 -24.97 46.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -79.19 -7.32 58.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -100.1 -44.92 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.566 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -109.04 49.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.143 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.78 -169.51 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.47 -30.2 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.27 64.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -101.75 -168.44 27.44 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -115.66 -17.76 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -100.22 -7.51 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HB2' HD11 ' A' ' 170' ' ' LEU . 17.2 ptt85 -73.33 -6.54 46.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.664 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -49.57 159.37 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -86.99 160.55 18.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.585 HD23 ' HB3' ' A' ' 38' ' ' TRP . 49.4 tp -101.22 151.25 22.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -109.13 -172.72 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -80.6 107.99 13.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.78 HD12 ' CD1' ' A' ' 38' ' ' TRP . 4.4 mt -62.9 139.48 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -105.46 99.22 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.628 ' CG1' HG22 ' A' ' 31' ' ' VAL . 25.8 m -64.73 123.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.531 HD11 HG23 ' A' ' 72' ' ' VAL . 13.5 mt -110.63 -166.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -56.93 13.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -129.26 -19.52 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.411 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.9 m -108.65 -179.75 3.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.49 122.47 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.531 HG23 HD11 ' A' ' 67' ' ' LEU . 40.7 t -79.91 148.24 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -149.77 134.99 18.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 152.2 33.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.664 ' HB3' HD22 ' A' ' 59' ' ' LEU . 94.2 m-85 -128.91 165.98 20.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -113.36 115.65 28.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.646 ' CG2' HD23 ' A' ' 59' ' ' LEU . 73.1 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.648 HD12 ' HE3' ' A' ' 88' ' ' MET . 0.6 OUTLIER -101.28 178.21 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t -129.86 128.97 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.648 ' HE3' HD12 ' A' ' 86' ' ' LEU . 17.8 mmt -125.3 159.41 31.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.2 t -150.1 104.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -85.55 124.58 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -118.53 152.08 36.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -66.92 152.05 46.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.1 p -137.04 173.39 11.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.94 -23.14 52.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -58.5 -176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.64 107.7 17.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.01 31.63 65.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.622 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.9 tt0 -124.71 106.16 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.536 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 6.0 m-85 -79.83 170.13 16.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.3 p -131.34 122.74 26.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.92 170.22 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.193 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.9 m -108.05 91.19 3.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.54 172.45 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -49.82 -26.83 4.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.46 161.47 26.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.525 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -50.38 124.03 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.58 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.1 169.44 23.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.59 133.58 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.825 ' HB2' HD12 ' A' ' 124' ' ' LEU . 3.8 t80 -103.06 138.13 40.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 98' ' ' GLU . 10.4 p -143.51 175.49 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 121' ' ' MET . 68.0 mt -139.86 90.37 10.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.711 0.767 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -48.74 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.398 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.26 109.07 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.8 t -110.26 89.32 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.89 52.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -32.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -48.31 -45.0 34.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -121.09 -65.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CD2' HG23 ' A' ' 149' ' ' ILE . 20.0 p90 -139.04 134.03 32.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 114' ' ' THR . 16.9 tp -91.82 147.1 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.527 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.2 mtm -128.21 135.8 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.92 169.35 12.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -150.19 109.87 4.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.825 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.7 tt -126.32 139.52 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.3 mt -127.0 133.27 68.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -120.94 131.94 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -118.35 99.93 7.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -143.96 156.39 44.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 62.19 31.77 17.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.09 18.12 66.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -144.97 148.15 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.1 t -140.01 159.23 42.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.76 158.54 44.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -94.06 107.84 19.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 136' ' ' MET . 3.0 tm? -89.98 137.7 32.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.717 ' N ' HD13 ' A' ' 135' ' ' LEU . 7.9 mtt -139.48 109.69 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.64 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -106.67 109.72 3.15 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.614 HD21 HD12 ' A' ' 145' ' ' LEU . 9.6 tp -79.86 133.48 36.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.465 ' N ' HD12 ' A' ' 138' ' ' LEU . 20.6 m-85 -126.28 157.5 38.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.65 153.39 24.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -51.39 -28.36 12.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.41 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.3 OUTLIER -108.05 163.1 17.7 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.2 Cg_endo -69.78 -6.49 18.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -150.93 149.17 29.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.614 HD12 HD21 ' A' ' 138' ' ' LEU . 28.6 mt -113.71 144.91 42.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.0 t -69.13 -179.79 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 p -79.11 -5.27 53.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.7 -33.48 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.563 HG23 ' CD2' ' A' ' 119' ' ' PHE . 94.2 mt -90.71 -44.17 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -53.26 -31.17 42.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.02 -31.45 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -65.14 -20.51 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.476 ' HB2' HD22 ' A' ' 138' ' ' LEU . 17.4 t80 -80.19 -45.91 17.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.87 -23.43 31.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -61.6 -59.62 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.0 tp -60.03 -31.16 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 78.0 m -57.27 -70.28 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -57.89 -24.25 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -76.83 -25.41 53.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -95.38 -6.55 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 107.79 11.05 25.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 40.0 mt -103.56 104.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.09 153.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.734 ' HA ' HD13 ' A' ' 167' ' ' ILE . 40.9 tpt85 -67.04 -23.69 65.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.52 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.2 mt-10 -72.88 -19.99 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.614 ' O ' HD12 ' A' ' 168' ' ' ILE . 17.4 m-20 -80.67 -9.54 59.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.734 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -69.76 109.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.729 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.2 mp -103.57 132.92 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 42' ' ' ILE . 5.4 p-10 -83.92 138.05 33.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 58' ' ' ARG . 4.6 mm? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.69 ' O ' HG22 ' A' ' 114' ' ' THR . . . -146.46 -179.4 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 t -130.56 161.72 30.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -6.64 46.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.9 p -53.8 -24.57 15.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.57 40.18 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -128.84 102.1 6.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.2 t30 52.88 49.77 19.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.455 ' CD2' HG21 ' A' ' 114' ' ' THR . 35.6 t80 -100.08 143.22 30.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -129.74 107.48 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.834 HG23 HD11 ' A' ' 34' ' ' ILE . 8.0 p -89.95 -15.07 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.83 -12.09 61.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.809 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -89.67 -55.83 3.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.834 HD11 HG23 ' A' ' 31' ' ' VAL . 25.8 pt -54.18 -24.9 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.417 ' CG ' HG22 ' A' ' 66' ' ' VAL . 57.3 t30 -58.78 128.1 35.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.53 178.8 15.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -51.64 119.87 4.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 0.0 110.812 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.797 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.2 m95 -106.66 178.99 4.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -162.47 139.79 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.8 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.77 99.96 12.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.58 HG21 HD12 ' A' ' 145' ' ' LEU . 7.8 mm -65.91 -64.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.513 HD13 ' O ' ' A' ' 41' ' ' ILE . 26.6 mm -142.21 144.32 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.498 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.3 tp -114.56 130.71 56.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.517 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -134.98 130.18 35.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 t -166.52 146.0 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 26.2 t0 -68.18 81.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.86 73.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.716 ' HD2' HD11 ' A' ' 168' ' ' ILE . 3.3 mmm180 -55.38 -29.08 57.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.08 -4.98 41.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -100.97 -50.39 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.691 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -96.38 42.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.65 -174.21 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.42 117.18 2.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 60.42 40.15 17.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.71 -144.63 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -124.92 -36.13 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -96.74 -8.4 31.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.688 ' HG3' HD11 ' A' ' 170' ' ' LEU . 33.5 ttt180 -75.47 67.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.676 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -117.69 155.5 29.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -83.35 132.9 34.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 62' ' ' GLU . 45.1 tp -77.47 148.91 35.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.544 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -109.47 -170.28 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -79.7 107.22 12.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.797 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.7 mt -61.84 139.4 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -104.92 99.28 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.544 HG12 HG22 ' A' ' 31' ' ' VAL . 19.4 m -64.99 121.17 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.529 HD11 HG23 ' A' ' 72' ' ' VAL . 16.6 mt -110.56 -167.45 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -60.58 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -129.6 -16.1 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.2 m -109.79 -179.92 3.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.31 127.78 8.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.542 HG13 HG22 ' A' ' 89' ' ' VAL . 60.5 t -86.58 143.37 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.469 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.2 pt? -144.33 130.57 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -107.35 151.0 26.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.65 ' CB ' HD22 ' A' ' 59' ' ' LEU . 20.3 m-85 -121.53 173.62 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -125.57 102.06 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.676 ' CG2' HD23 ' A' ' 59' ' ' LEU . 38.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.497 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -106.11 178.92 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.3 p -128.22 125.2 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.479 ' CE ' HD12 ' A' ' 86' ' ' LEU . 16.2 mmt -131.01 156.18 45.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.542 HG22 HG13 ' A' ' 72' ' ' VAL . 97.9 t -150.19 109.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -84.13 116.16 22.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.48 141.92 38.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -55.32 167.32 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.7 p -151.85 179.83 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.192 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -66.82 -21.31 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -59.3 177.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.2 105.96 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.65 32.89 82.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.639 ' HA ' HG22 ' A' ' 110' ' ' THR . 34.4 tt0 -134.36 109.39 8.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.602 ' O ' HG22 ' A' ' 108' ' ' THR . 3.8 m-85 -80.14 170.1 16.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.81 113.3 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.422 HG22 ' HB2' ' A' ' 90' ' ' ALA . 55.8 t -96.76 145.96 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.227 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.8 m -95.81 92.68 6.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.32 173.02 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.39 -27.91 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.65 -90.02 0.73 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -158.64 135.56 9.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.525 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -161.05 170.52 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -145.03 123.44 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.784 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.4 t80 -99.45 138.03 37.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.6 p -143.62 177.83 8.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.667 HG23 ' O ' ' A' ' 121' ' ' MET . 79.1 mt -141.95 89.5 8.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.84 -32.07 18.96 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.28 108.44 9.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.1 t -106.43 89.27 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.62 48.68 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -42.96 -33.9 0.88 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -46.09 -46.03 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -122.43 -69.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.543 ' CD2' HG23 ' A' ' 149' ' ' ILE . 30.5 p90 -133.13 132.66 41.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 114' ' ' THR . 24.7 tp -93.25 151.64 19.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.667 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.5 mtt -128.56 141.5 51.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.22 132.37 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.688 ' CE1' HD11 ' A' ' 125' ' ' ILE . 12.3 t-160 -115.98 108.03 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' ' 109' ' ' PHE . 3.7 tt -115.93 151.34 35.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.688 HD11 ' CE1' ' A' ' 123' ' ' HIS . 4.9 mt -137.6 138.68 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -122.16 118.65 29.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -112.71 100.54 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -146.8 156.53 43.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t70 63.53 26.77 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.791 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.64 5.82 69.71 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -129.42 147.09 51.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.3 t -143.27 160.69 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.563 ' HE2' HD12 ' A' ' 135' ' ' LEU . 0.4 OUTLIER -153.53 149.83 28.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -93.67 110.48 22.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.563 HD12 ' HE2' ' A' ' 133' ' ' PHE . 6.6 tt -108.91 142.85 38.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.61 ' SD ' HD23 ' A' ' 156' ' ' LEU . 18.8 ttm -133.02 118.62 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.498 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -98.69 111.29 4.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 139' ' ' TYR . 8.5 tp -84.74 130.71 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.833 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.461 ' N ' HD12 ' A' ' 138' ' ' LEU . 14.8 m-85 -125.5 157.11 37.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -146.41 154.48 25.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -53.93 -23.34 12.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -118.14 163.32 25.44 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.717 0.77 . . . . 0.0 110.869 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.0 Cg_endo -69.7 -4.77 14.66 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.738 2.292 . . . . 0.0 112.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -149.04 140.04 22.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.58 HD12 HG21 ' A' ' 41' ' ' ILE . 17.7 mt -109.3 158.38 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.6 t -82.38 179.74 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.5 m -80.4 -6.11 57.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.38 -32.82 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.543 HG23 ' CD2' ' A' ' 119' ' ' PHE . 87.8 mt -91.02 -44.15 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -28.83 35.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.0 -31.18 61.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -63.36 -21.16 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.408 ' HB2' HD22 ' A' ' 138' ' ' LEU . 6.0 t80 -80.35 -43.91 20.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.03 47.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -62.58 -56.36 18.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.61 HD23 ' SD ' ' A' ' 136' ' ' MET . 16.1 tp -67.72 -28.23 67.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 96.3 m -55.1 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.38 -29.82 67.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -68.48 -30.08 68.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -91.49 10.89 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.96 17.08 58.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 10.1 mt -111.37 99.52 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.145 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.57 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.16 160.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.766 ' HA ' HD13 ' A' ' 167' ' ' ILE . 11.8 tpt85 -72.38 -26.61 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.57 ' HB2' HD12 ' A' ' 163' ' ' LEU . 1.9 mm-40 -68.08 -13.21 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.57 ' O ' HD12 ' A' ' 168' ' ' ILE . 53.3 m-20 -90.69 -7.79 51.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.766 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -73.92 109.73 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.716 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.7 mp -102.57 134.1 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.459 ' HA ' HD12 ' A' ' 42' ' ' ILE . 3.2 p-10 -87.95 137.53 32.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.688 HD11 ' HG3' ' A' ' 58' ' ' ARG . 4.5 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.588 ' O ' HG22 ' A' ' 114' ' ' THR . . . -170.05 -179.6 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -138.57 165.88 25.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -1.56 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.7 p -60.12 -18.4 47.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.68 40.16 1.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -133.08 100.18 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 t30 51.92 50.94 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' HG21 ' A' ' 114' ' ' THR . 51.6 t80 -100.21 133.51 44.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -122.66 108.84 13.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.789 HG23 HD11 ' A' ' 34' ' ' ILE . 10.5 p -90.24 -13.08 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.76 -11.55 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -90.26 -54.19 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.789 HD11 HG23 ' A' ' 31' ' ' VAL . 18.5 pt -55.4 -25.61 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -57.79 127.59 32.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.36 -178.79 17.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.417 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -53.93 119.83 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.765 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.7 m95 -107.71 177.78 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -163.12 149.2 12.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.2 102.34 14.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.675 HG21 HD12 ' A' ' 145' ' ' LEU . 7.0 mm -73.02 -65.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 41' ' ' ILE . 30.4 mm -138.3 147.38 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.543 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.0 tp -120.54 122.52 40.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.988 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.599 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -129.47 132.34 46.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.524 ' OG ' HD12 ' A' ' 51' ' ' ILE . 64.3 p -170.35 148.8 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.9 p-10 -69.13 80.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.619 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.77 75.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.708 ' HD2' HD11 ' A' ' 168' ' ' ILE . 9.8 mmm-85 -55.25 -27.66 47.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.98 -5.95 48.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 -44.27 5.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.641 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -104.5 45.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.059 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.99 -171.62 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -49.48 -57.39 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -107.45 49.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.56 -162.73 18.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -120.07 -29.34 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -95.2 -1.23 52.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.505 ' CD ' HD11 ' A' ' 170' ' ' LEU . 0.2 OUTLIER -72.42 78.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 -179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.659 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -136.25 156.2 49.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -85.39 160.17 19.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 38' ' ' TRP . 34.2 tp -102.4 150.5 23.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -109.1 -172.68 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -81.02 107.94 14.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.765 HD12 ' CD1' ' A' ' 38' ' ' TRP . 3.7 mt -62.27 139.7 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.63 99.69 9.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 31' ' ' VAL . 74.3 t -64.62 130.16 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 70' ' ' SER . 13.2 mt -118.04 -167.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.14 -53.85 47.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -132.28 -20.09 2.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.49 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.0 m -108.31 -179.06 3.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -155.97 123.6 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.413 HG23 HD11 ' A' ' 67' ' ' LEU . 50.5 t -79.75 148.07 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -147.96 137.88 22.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.74 152.15 40.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 50.9 m-85 -127.95 -172.79 2.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -132.79 110.14 10.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.659 ' CG2' HD23 ' A' ' 59' ' ' LEU . 39.9 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -110.35 178.21 4.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -137.75 148.7 45.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.49 ' HE1' HD11 ' A' ' 86' ' ' LEU . 5.2 mtt -145.3 170.24 16.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.5 t -139.36 99.31 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.43 116.93 20.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.89 164.19 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -79.37 152.34 30.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.4 p -135.5 173.07 12.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.31 -19.83 56.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -59.84 -172.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.04 106.82 17.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 51.96 33.07 35.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.515 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.68 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.7 tt0 -120.99 107.05 12.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.901 0.382 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -79.55 170.01 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.952 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.06 126.25 39.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.91 170.43 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.8 m -104.56 91.27 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.231 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.29 171.82 7.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.94 -25.93 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.09 169.2 26.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -50.81 121.55 6.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.538 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -157.66 169.87 23.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.65 133.7 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.812 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.2 t80 -102.86 134.34 46.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.68 HG22 ' HA ' ' A' ' 98' ' ' GLU . 13.1 p -140.16 175.18 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 121' ' ' MET . 9.1 mt -137.01 94.93 12.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.43 ' CE ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -119.13 108.59 14.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.692 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -107.42 90.31 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.68 52.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.12 -33.84 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -49.84 -42.77 48.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.07 -68.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.614 ' CD2' HG23 ' A' ' 149' ' ' ILE . 24.5 p90 -139.06 133.23 31.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 114' ' ' THR . 23.8 tp -91.91 150.32 21.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.3 mtm -131.43 135.9 47.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -129.77 154.63 47.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.588 ' CE1' HD11 ' A' ' 125' ' ' ILE . 9.8 t-160 -137.93 109.56 7.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.2 tt -120.95 137.54 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.588 HD11 ' CE1' ' A' ' 123' ' ' HIS . 21.2 mt -121.72 133.68 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -124.02 121.64 35.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -111.02 101.73 10.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -143.31 158.82 43.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 58.14 34.26 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 65.55 14.72 60.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -137.67 148.0 45.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.6 t -142.29 160.25 40.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.444 ' HE2' HD23 ' A' ' 135' ' ' LEU . 3.0 p90 -154.39 154.57 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -93.56 109.25 20.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 136' ' ' MET . 3.1 tm? -96.26 139.2 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.672 ' N ' HD13 ' A' ' 135' ' ' LEU . 3.5 mtm -140.18 116.74 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.543 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -108.31 109.89 2.98 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.458 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 139' ' ' TYR . 2.6 tp -79.49 123.0 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.555 ' N ' HD12 ' A' ' 138' ' ' LEU . 18.1 m-85 -114.98 161.49 18.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -154.1 152.28 23.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -50.14 -31.67 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.472 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 2.5 mm-40 -108.03 160.12 28.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.2 Cg_endo -69.77 -6.47 18.69 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -147.15 138.47 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.675 HD12 HG21 ' A' ' 41' ' ' ILE . 30.9 mt -108.59 145.49 34.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -69.61 179.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.4 m -80.25 -5.4 56.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -90.6 -31.57 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.614 HG23 ' CD2' ' A' ' 119' ' ' PHE . 88.4 mt -91.08 -43.28 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -58.75 -27.82 65.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -74.18 -30.76 62.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -58.75 -45.76 88.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 9.5 t80 -61.73 -36.73 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.849 ' HB1' ' HD2' ' A' ' 164' ' ' ARG . . . -63.6 -17.61 63.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -80.42 -28.0 37.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.43 HD13 ' CE ' ' A' ' 113' ' ' LYS . 9.3 tp -90.85 -35.97 14.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 9.8 p -51.24 -33.3 27.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.0 -35.83 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.92 -26.24 65.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -90.71 7.23 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.2 -8.0 75.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.7 mt -82.48 101.84 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.891 0.377 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.13 151.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.993 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.849 ' HD2' ' HB1' ' A' ' 154' ' ' ALA . 2.0 mmm180 -62.38 -23.71 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.658 ' HB2' HD12 ' A' ' 163' ' ' LEU . 12.4 mm-40 -75.57 -25.33 57.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.543 ' O ' HD12 ' A' ' 168' ' ' ILE . 16.8 m-20 -70.76 -10.19 58.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.599 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -71.4 118.67 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.708 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -105.06 123.46 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.422 ' HA ' HD12 ' A' ' 42' ' ' ILE . 9.7 p-10 -71.24 132.38 44.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.505 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.4 mm? . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.645 ' O ' HG22 ' A' ' 114' ' ' THR . . . -158.2 -179.09 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -130.78 155.79 46.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -72.26 -7.61 50.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.7 p -57.08 -20.43 25.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.95 40.11 1.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -128.27 99.75 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 t30 54.25 49.02 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CD2' HG21 ' A' ' 114' ' ' THR . 30.5 t80 -99.98 141.81 32.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -130.08 102.19 6.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.995 HG23 HD11 ' A' ' 34' ' ' ILE . 8.1 p -83.46 -19.23 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.64 -20.13 64.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -82.8 -57.43 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.995 HD11 HG23 ' A' ' 31' ' ' VAL . 46.4 pt -54.11 -25.79 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.422 ' CG ' HG23 ' A' ' 66' ' ' VAL . 60.0 t30 -55.22 143.09 28.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.85 -175.21 17.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -57.39 132.76 54.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.811 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.5 m95 -116.53 -176.67 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -162.73 139.41 7.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.09 99.94 12.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.718 HG21 HD12 ' A' ' 145' ' ' LEU . 7.7 mm -69.09 -68.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 41' ' ' ILE . 25.2 mm -138.44 149.26 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.748 HD23 ' CG2' ' A' ' 51' ' ' ILE . 1.4 tp -124.57 119.6 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -121.94 135.83 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.527 ' HB2' HD22 ' A' ' 135' ' ' LEU . 38.8 t -171.11 143.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.2 t70 -69.33 81.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.703 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.4 61.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.499 ' HD2' HD11 ' A' ' 168' ' ' ILE . 7.3 mmm180 -39.6 -48.88 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -51.63 -41.72 61.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 47' ' ' LYS . 14.1 tppt? -69.16 -50.35 48.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.748 ' CG2' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -99.26 47.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.75 -173.59 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -48.83 -60.68 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -94.76 25.59 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.58 -170.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -117.8 -21.74 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -96.47 -4.29 41.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' A' ' 170' ' ' LEU . 6.7 tmm_? -75.05 72.05 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.655 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -127.07 149.86 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -81.32 159.82 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.722 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.1 tp -96.74 152.95 18.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -109.06 -172.21 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -79.93 107.96 13.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.811 HD12 ' CD1' ' A' ' 38' ' ' TRP . 23.1 mt -71.09 139.76 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -109.72 142.09 41.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.422 HG23 ' CG ' ' A' ' 35' ' ' ASN . 64.4 t -94.79 118.01 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.19 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.62 HD21 HG23 ' A' ' 72' ' ' VAL . 2.0 mm? -109.39 -170.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -56.66 7.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -144.75 13.29 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.525 ' C ' HD23 ' A' ' 71' ' ' LEU . 1.4 m -127.13 -179.51 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.525 HD23 ' C ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -149.01 116.81 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.62 HG23 HD21 ' A' ' 67' ' ' LEU . 97.9 t -79.97 114.52 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.728 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.6 pt? -121.39 137.14 54.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -123.38 152.61 41.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.728 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 49.2 m-85 -130.35 168.14 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -114.93 118.07 32.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.655 ' CG2' HD23 ' A' ' 59' ' ' LEU . 36.2 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -112.38 176.25 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.1 p -123.06 132.31 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.52 159.46 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 89' ' ' VAL . 2.5 p -150.05 101.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -79.17 115.4 18.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.17 156.02 22.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -65.25 159.13 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 100' ' ' SER . 34.4 p -146.11 175.76 10.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.56 -24.11 44.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.11 178.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.36 112.35 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.76 25.27 65.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.7 ' HA ' HG22 ' A' ' 110' ' ' THR . 6.9 tt0 -125.15 104.52 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.426 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 21.5 m-85 -80.16 170.04 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.415 ' HB2' HG21 ' A' ' 93' ' ' THR . 0.3 OUTLIER -128.78 127.21 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.9 m -109.18 170.36 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.4 m -103.08 92.25 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.11 173.2 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.11 -28.29 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -140.03 -152.05 5.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.522 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -84.39 125.58 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.411 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.97 164.09 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.56 131.33 20.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.811 ' HB2' HD12 ' A' ' 124' ' ' LEU . 6.2 t80 -98.82 135.96 39.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 98' ' ' GLU . 22.2 p -140.8 173.62 11.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 121' ' ' MET . 60.5 mt -138.86 89.67 12.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.7 Cg_endo -69.81 -45.78 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.343 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.35 107.74 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.9 t -108.6 89.45 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.2 50.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -44.45 -32.7 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -47.84 -45.17 29.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -122.09 -68.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CD2' HG23 ' A' ' 149' ' ' ILE . 23.0 p90 -135.59 132.65 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 114' ' ' THR . 20.2 tp -92.62 149.88 21.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.522 ' O ' HG23 ' A' ' 111' ' ' ILE . 2.5 mtp -128.04 143.77 51.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.36 166.42 24.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.059 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.573 ' CE1' HD11 ' A' ' 125' ' ' ILE . 17.6 t-160 -150.13 111.62 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.811 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.6 tt -126.91 127.64 45.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' A' ' 123' ' ' HIS . 7.9 mt -113.96 140.27 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -127.73 146.4 50.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -133.31 99.42 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -146.32 160.74 41.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 63.95 20.14 12.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 77.71 20.71 73.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -150.16 154.03 37.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.401 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.2 t -141.72 160.24 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.6 151.85 30.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -91.49 107.12 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 136' ' ' MET . 3.1 tm? -97.87 139.37 33.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.7 ' N ' HD13 ' A' ' 135' ' ' LEU . 9.7 mtp -139.13 118.39 12.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.629 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -103.47 110.35 3.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.551 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.641 HD22 ' HB2' ' A' ' 153' ' ' PHE . 2.5 tp -82.84 119.1 23.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.552 ' N ' HD12 ' A' ' 138' ' ' LEU . 18.2 m-85 -110.72 155.15 22.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -143.2 149.19 21.13 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.402 ' HG3' ' HG2' ' A' ' 142' ' ' GLU . 14.5 ptt-85 -50.05 -30.49 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.709 0.29 . . . . 0.0 110.871 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -109.95 163.72 16.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.0 Cg_endo -69.8 -5.13 15.5 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.292 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -150.75 138.83 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 41' ' ' ILE . 25.7 mt -108.64 149.42 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -74.92 -179.88 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 m -80.17 -4.1 51.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -90.78 -33.2 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.558 HG23 ' CD2' ' A' ' 119' ' ' PHE . 90.9 mt -90.87 -43.68 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -54.1 -28.2 37.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -76.28 -30.35 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -62.86 -23.54 67.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.641 ' HB2' HD22 ' A' ' 138' ' ' LEU . 16.8 t80 -79.92 -42.32 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.16 -21.86 48.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -63.98 -50.93 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.521 HD22 ' CE ' ' A' ' 121' ' ' MET . 0.6 OUTLIER -73.88 -24.43 59.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 92.1 m -59.47 -69.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -55.67 -30.66 61.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.66 -28.54 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -92.52 15.22 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.88 9.05 78.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 31.4 mt -106.84 97.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.34 166.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.775 ' HA ' HD13 ' A' ' 167' ' ' ILE . 5.1 tpp85 -73.64 -30.37 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.59 ' HB2' HD12 ' A' ' 163' ' ' LEU . 20.6 mm-40 -66.8 -13.28 61.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.505 ' O ' HD12 ' A' ' 168' ' ' ILE . 10.8 m-20 -90.35 -5.81 55.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.775 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -76.44 109.56 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 166' ' ' ASN . 2.0 mp -101.45 125.49 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.498 ' HA ' HD12 ' A' ' 42' ' ' ILE . 1.6 p30 -84.47 128.84 34.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.43 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.3 mm? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.704 ' O ' HG22 ' A' ' 114' ' ' THR . . . -162.91 -179.79 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 m -131.99 161.81 32.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -74.33 -6.69 49.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 p -53.55 -24.64 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.5 40.14 1.39 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -130.15 100.19 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.5 t30 56.74 47.42 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CD2' HG21 ' A' ' 114' ' ' THR . 40.0 t80 -100.16 142.85 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.46 107.46 9.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.903 HG23 HD11 ' A' ' 34' ' ' ILE . 7.1 p -90.28 -13.49 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.11 -15.73 63.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -86.54 -56.29 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.903 HD11 HG23 ' A' ' 31' ' ' VAL . 22.7 pt -54.65 -24.92 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -59.8 126.43 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.81 179.42 16.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -51.71 119.68 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.747 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.8 m95 -106.31 -178.94 3.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -162.7 144.87 10.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.6 m -93.87 99.68 12.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.725 HG21 HD12 ' A' ' 145' ' ' LEU . 8.4 mm -68.21 -68.1 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.576 HD13 ' O ' ' A' ' 41' ' ' ILE . 25.4 mm -138.89 149.57 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 51' ' ' ILE . 1.6 tp -122.63 115.46 22.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.488 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -121.39 129.8 53.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.608 ' HB2' HD22 ' A' ' 135' ' ' LEU . 29.4 t -168.22 149.36 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 5.0 t0 -68.81 81.69 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.8 74.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.528 ' HD2' HD11 ' A' ' 168' ' ' ILE . 3.0 mmm180 -56.14 -25.56 46.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.64 -5.14 52.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.73 -40.51 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.496 HG22 HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -113.5 51.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -170.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.95 -31.32 28.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -130.91 66.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -102.31 -171.42 27.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.56 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -117.26 -27.99 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -88.81 -6.92 57.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -81.44 61.38 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.699 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -111.8 149.37 31.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -79.43 117.29 20.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.439 HD23 ' HB3' ' A' ' 38' ' ' TRP . 42.6 tp -58.75 152.77 18.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' H ' HD12 ' A' ' 61' ' ' LEU . 63.8 mm-40 -109.33 -173.03 2.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -81.2 107.5 14.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.747 HD12 ' CD1' ' A' ' 38' ' ' TRP . 3.9 mt -62.68 139.75 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -107.66 100.39 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.05 123.37 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.561 HD11 HG23 ' A' ' 72' ' ' VAL . 14.7 mt -111.42 -167.46 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -60.22 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -127.67 -18.21 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.7 m -109.3 -179.46 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.49 124.93 8.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.561 HG23 HD11 ' A' ' 67' ' ' LEU . 47.1 t -79.88 146.45 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.579 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -149.93 136.61 19.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -121.55 152.69 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.676 ' HB3' HD22 ' A' ' 59' ' ' LEU . 76.6 m-85 -130.67 167.24 19.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -133.67 102.43 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.699 ' CG2' HD23 ' A' ' 59' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.923 0.392 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -116.92 177.36 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.2 m -133.42 128.43 35.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.2 mtm -136.34 170.37 16.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.0 p -149.87 108.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.29 115.35 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -103.58 169.5 8.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -87.04 165.95 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.8 p -151.31 179.45 8.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -80.97 -1.11 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -70.19 -174.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.54 99.66 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 54.45 25.61 34.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.391 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.681 ' HA ' HG22 ' A' ' 110' ' ' THR . 13.1 tt0 -113.32 110.42 20.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -80.22 163.21 24.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.59 122.1 39.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.17 138.17 51.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.5 m -75.5 92.99 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.47 172.53 6.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.55 -26.43 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.03 167.81 28.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.547 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -49.74 117.47 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.527 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -154.83 170.25 22.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.58 125.88 10.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.063 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.648 ' CB ' HD12 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -99.83 132.48 45.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 98' ' ' GLU . 7.2 p -134.07 174.64 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.475 HG23 ' O ' ' A' ' 121' ' ' MET . 31.1 mt -137.74 89.8 14.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.741 . . . . 0.0 111.167 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -49.13 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -112.51 107.67 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.8 t -108.14 89.16 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.01 50.75 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.08 -33.12 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.985 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -49.62 -43.47 46.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -121.99 -70.45 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.546 ' CD2' HG23 ' A' ' 149' ' ' ILE . 39.2 p90 -134.78 131.6 37.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 114' ' ' THR . 18.7 tp -93.3 148.89 21.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.475 ' O ' HG23 ' A' ' 111' ' ' ILE . 3.7 mmm -131.29 141.25 49.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.26 144.63 40.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.415 ' CE1' HD11 ' A' ' 125' ' ' ILE . 14.6 t-160 -123.11 117.71 26.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.648 HD12 ' CB ' ' A' ' 109' ' ' PHE . 4.8 tt -127.94 151.07 49.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.415 HD11 ' CE1' ' A' ' 123' ' ' HIS . 16.1 mt -139.99 136.32 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -126.99 125.96 42.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.772 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.59 99.82 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -139.11 155.18 48.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.58 31.64 18.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.84 9.93 60.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.548 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -133.81 149.16 51.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.903 0.383 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.7 t -139.48 160.09 40.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.59 149.06 30.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -90.41 107.2 19.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 136' ' ' MET . 2.7 tm? -98.17 139.95 33.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.726 ' N ' HD13 ' A' ' 135' ' ' LEU . 15.0 mtt -143.99 111.6 6.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.447 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -99.24 116.74 5.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.674 HD22 ' HB2' ' A' ' 153' ' ' PHE . 2.4 tp -88.27 121.98 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.579 ' N ' HD12 ' A' ' 138' ' ' LEU . 21.3 m-85 -113.27 155.41 25.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -142.26 149.09 20.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -29.57 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.4 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.7 OUTLIER -114.23 164.43 16.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.748 . . . . 0.0 110.846 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.4 Cg_endo -69.68 -4.45 13.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -147.38 136.95 22.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.725 HD12 HG21 ' A' ' 41' ' ' ILE . 20.0 mt -108.97 143.85 37.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -68.28 172.75 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.3 m -75.59 -5.7 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.65 -29.83 17.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.546 HG23 ' CD2' ' A' ' 119' ' ' PHE . 83.5 mt -90.96 -45.22 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.15 -30.94 39.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.13 -31.82 66.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -63.06 -26.66 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.674 ' HB2' HD22 ' A' ' 138' ' ' LEU . 14.5 t80 -75.49 -46.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.02 -29.07 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -60.9 -49.42 77.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.2 -27.07 65.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 60.8 m -65.9 -66.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -58.33 -22.55 53.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.86 -27.86 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -90.51 3.24 54.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 97.9 10.17 52.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.2 104.44 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.344 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.84 150.76 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.71 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -64.94 -22.41 66.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.618 ' HB2' HD12 ' A' ' 163' ' ' LEU . 24.0 mm-40 -73.35 -20.51 60.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.501 ' O ' HD12 ' A' ' 168' ' ' ILE . 18.5 m-20 -80.81 -5.03 56.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.71 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -75.13 110.06 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.528 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.8 mp -101.62 121.2 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 42' ' ' ILE . 3.1 t0 -91.59 127.63 37.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.768 HD22 ' O ' ' A' ' 170' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.644 ' O ' HG22 ' A' ' 114' ' ' THR . . . -152.86 -178.95 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 p -129.94 155.99 45.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 p -69.93 -10.15 57.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.5 p -54.84 -23.45 18.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.58 40.06 1.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -127.53 99.97 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 t30 58.54 43.78 18.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.588 ' CD2' HG21 ' A' ' 114' ' ' THR . 25.7 t80 -99.6 142.0 31.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -130.13 97.11 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.878 HG23 HD11 ' A' ' 34' ' ' ILE . 9.1 p -78.09 -12.98 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.84 -20.42 63.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -81.44 -55.6 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.878 HD11 HG23 ' A' ' 31' ' ' VAL . 26.8 pt -55.79 -23.62 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -61.27 130.42 46.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.75 -178.76 16.84 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.429 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -54.32 119.27 4.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.816 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.4 m95 -104.63 -176.59 3.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -162.84 148.65 12.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.0 m -96.09 99.37 11.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.827 HG21 HD12 ' A' ' 145' ' ' LEU . 10.0 mm -69.54 -69.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.147 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.624 HG12 HG22 ' A' ' 41' ' ' ILE . 24.2 mm -142.13 148.26 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.712 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.5 tp -118.21 126.9 53.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.502 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -131.5 129.85 41.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.031 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.62 145.63 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 6.9 p-10 -68.29 81.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.21 72.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 168' ' ' ILE . 2.6 mmm180 -54.57 -29.25 50.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.66 -6.3 47.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.13 -50.97 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.833 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -93.3 40.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -173.25 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -52.59 121.78 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.788 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 62.79 30.76 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.15 -158.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -121.51 -6.82 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -125.64 8.48 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.62 58.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -111.7 155.9 22.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -77.43 151.22 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 38' ' ' TRP . 35.0 tp -95.79 151.27 19.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.73 -172.66 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -82.21 107.93 15.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.816 HD12 ' CD1' ' A' ' 38' ' ' TRP . 6.5 mt -61.46 139.48 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -108.2 102.6 11.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.45 HG22 HG22 ' A' ' 31' ' ' VAL . 83.1 t -66.28 112.93 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.191 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.607 HD11 HG23 ' A' ' 72' ' ' VAL . 38.0 mt -100.84 -168.67 1.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -55.58 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -141.27 10.19 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.51 ' C ' HD23 ' A' ' 71' ' ' LEU . 7.7 m -129.27 -179.96 5.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.526 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -148.29 122.83 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.607 HG23 HD11 ' A' ' 67' ' ' LEU . 97.7 t -87.64 118.38 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.755 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.4 pt? -122.81 135.52 54.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -118.51 152.45 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.755 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 81.5 m-85 -131.55 157.37 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -106.7 120.46 42.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.658 ' CG2' HD23 ' A' ' 59' ' ' LEU . 18.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -103.58 178.21 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.9 p -132.35 110.59 10.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.3 mmt -110.5 161.96 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.0 p -150.2 109.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.35 108.39 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -102.92 152.58 21.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -64.06 170.56 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.533 HG21 ' HB3' ' A' ' 100' ' ' SER . 45.3 p -151.51 179.78 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -56.72 -25.89 55.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -71.56 166.81 21.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.87 102.19 10.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.33 -26.39 24.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.7 ' HA ' HG22 ' A' ' 110' ' ' THR . 13.4 tt0 -86.66 103.74 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.526 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.6 m-85 -83.5 159.07 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.533 ' HB3' HG21 ' A' ' 93' ' ' THR . 83.5 p -121.82 116.58 24.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.2 137.41 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 97.8 m -72.64 92.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.98 172.53 6.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -49.37 -26.83 3.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.26 163.35 28.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.566 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -49.69 120.17 4.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.627 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -156.28 168.52 27.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.17 125.29 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.851 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.8 t80 -98.9 130.24 45.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.3 p -136.57 173.92 11.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.448 HD11 ' HZ ' ' A' ' 109' ' ' PHE . 55.7 mt -139.14 89.63 12.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -48.76 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.763 2.309 . . . . 0.0 112.301 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.524 ' HE3' HD13 ' A' ' 156' ' ' LEU . 1.0 OUTLIER -111.97 108.89 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.647 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -112.08 89.53 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.8 52.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.06 -33.33 1.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -49.47 -43.95 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -121.02 -69.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.604 ' CD2' HG23 ' A' ' 149' ' ' ILE . 26.4 p90 -136.57 133.4 36.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 114' ' ' THR . 22.4 tp -91.51 150.61 21.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.439 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.3 mtm -130.47 133.03 45.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -128.21 157.36 41.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.571 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.9 t-160 -140.68 110.52 6.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.851 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.0 tt -124.39 130.03 51.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 123' ' ' HIS . 31.8 mt -116.54 127.21 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -119.07 126.63 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.42 99.75 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -140.66 156.49 46.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t0 61.45 30.59 18.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 69.27 14.02 68.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -137.37 152.49 49.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.2 t -144.86 160.19 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.429 ' CE2' HD23 ' A' ' 135' ' ' LEU . 0.3 OUTLIER -155.8 156.88 35.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -92.62 107.81 19.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 136' ' ' MET . 2.9 tm? -91.84 139.26 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.703 ' N ' HD13 ' A' ' 135' ' ' LEU . 13.0 mtt -142.35 109.74 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.712 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -100.62 113.41 4.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.511 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.5 tt -79.9 125.88 30.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.594 ' N ' HD23 ' A' ' 138' ' ' LEU . 13.1 m-85 -125.37 137.0 54.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.34 154.52 20.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -51.08 -30.33 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.0 OUTLIER -110.32 162.71 19.41 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.678 0.752 . . . . 0.0 110.874 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.6 Cg_endo -69.75 -5.65 16.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.385 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.7 139.16 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.827 HD12 HG21 ' A' ' 41' ' ' ILE . 16.7 mt -108.86 152.39 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.7 t -73.96 177.63 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.07 -7.35 58.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.07 -30.94 17.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 119' ' ' PHE . 88.5 mt -90.52 -44.71 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -53.79 -29.98 42.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.57 -30.09 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -60.51 -42.88 97.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.488 ' CD2' HD12 ' A' ' 138' ' ' LEU . 12.0 t80 -65.49 -43.06 91.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.63 -25.53 53.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.53 -55.61 29.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.524 HD13 ' HE3' ' A' ' 113' ' ' LYS . 12.6 tp -64.29 -29.35 70.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 79.7 m -57.94 -66.58 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -56.71 -26.09 55.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -69.05 -35.54 76.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -86.75 -4.34 59.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 110.83 -6.57 29.42 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 56.0 mt -82.25 98.15 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.384 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.24 148.26 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.699 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.7 OUTLIER -59.69 -23.53 63.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.667 ' HB2' HD12 ' A' ' 163' ' ' LEU . 28.5 mm-40 -74.9 -26.11 59.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.554 ' O ' HD12 ' A' ' 168' ' ' ILE . 26.8 m-20 -72.46 -10.11 59.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.699 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.8 mp -70.87 109.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.833 HD13 HG13 ' A' ' 51' ' ' ILE . 1.3 mp -95.77 115.92 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.579 ' HA ' HD12 ' A' ' 42' ' ' ILE . 7.3 p-10 -92.62 123.31 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.625 ' O ' HG22 ' A' ' 114' ' ' THR . . . -166.34 -179.69 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -130.68 159.47 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -8.56 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -55.89 -21.68 21.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.86 40.15 1.34 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.563 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -126.41 99.72 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.6 t30 51.57 49.16 21.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CD2' HG21 ' A' ' 114' ' ' THR . 28.3 t80 -100.08 142.22 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -130.29 92.44 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 HD11 ' A' ' 34' ' ' ILE . 9.6 p -76.22 -14.0 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.71 -7.07 52.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -90.47 -55.62 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 31' ' ' VAL . 7.3 pt -53.67 -27.29 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' HB2' HG13 ' A' ' 66' ' ' VAL . 3.5 t30 -53.1 151.8 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.35 179.86 23.07 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -50.79 119.29 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.751 ' CD1' HD12 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -106.88 -176.84 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -162.9 148.46 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -100.08 99.83 10.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.629 HG21 HD12 ' A' ' 145' ' ' LEU . 6.8 mm -70.09 -68.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.661 HG23 ' HA ' ' A' ' 169' ' ' ASP . 21.2 mm -141.89 152.13 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.637 HD12 ' HA2' ' A' ' 137' ' ' GLY . 2.8 tp -117.67 145.27 44.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.58 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -149.62 129.79 13.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.481 ' OG ' HD12 ' A' ' 51' ' ' ILE . 25.5 p -170.39 148.89 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 13.0 t70 -68.08 81.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.578 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.13 75.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.561 ' HD2' HD11 ' A' ' 168' ' ' ILE . 7.7 mmm-85 -55.19 -28.05 50.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -76.26 -6.03 49.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 -45.66 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.584 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -102.93 45.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -172.09 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -51.45 -46.31 63.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.81 52.36 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.85 176.01 37.4 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.569 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.28 -19.5 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -93.88 -15.9 24.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -77.13 62.84 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.626 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -113.27 155.77 24.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -77.56 145.08 37.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 38' ' ' TRP . 27.3 tp -90.26 150.44 21.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.66 -171.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -81.14 107.77 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.751 HD12 ' CD1' ' A' ' 38' ' ' TRP . 13.1 mt -64.72 140.87 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 99.92 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 35' ' ' ASN . 6.8 m -67.54 110.59 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD11 HG23 ' A' ' 72' ' ' VAL . 27.1 mt -94.4 -167.76 1.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -53.94 -53.98 45.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.99 -19.38 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.474 ' C ' HD23 ' A' ' 71' ' ' LEU . 67.6 m -107.86 -179.31 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.583 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -147.63 134.83 20.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.492 HG23 HD11 ' A' ' 67' ' ' LEU . 48.2 t -96.44 116.66 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.745 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.4 pt? -118.75 135.84 54.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -117.89 153.24 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.745 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 81.1 m-85 -131.32 173.08 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -121.87 119.62 32.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.808 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.626 ' CG2' HD23 ' A' ' 59' ' ' LEU . 41.1 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.471 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -103.31 179.38 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -141.18 104.61 4.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.471 ' CE ' HD12 ' A' ' 86' ' ' LEU . 20.3 mmt -101.78 163.45 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 90.0 t -146.73 125.01 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.528 ' CA ' HG12 ' A' ' 101' ' ' VAL . . . -94.82 115.9 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -105.63 144.51 32.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -62.39 159.64 14.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 74.3 p -140.47 179.16 6.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -78.15 -4.07 45.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -72.59 -173.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.68 99.59 8.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.51 24.71 68.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.505 ' HA ' HG22 ' A' ' 110' ' ' THR . 1.1 tp10 -119.03 100.76 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.583 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.7 m-85 -79.62 170.06 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.5 m -141.89 119.47 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.528 HG12 ' CA ' ' A' ' 90' ' ' ALA . 30.4 m -102.1 170.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.7 m -100.2 91.08 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.45 172.61 6.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.43 -26.9 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.79 165.45 27.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -50.0 122.74 7.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.799 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.412 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -154.79 169.23 24.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.7 134.06 28.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.875 ' HB2' HD12 ' A' ' 124' ' ' LEU . 4.7 t80 -104.53 138.77 40.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 98' ' ' GLU . 17.4 p -146.08 175.1 10.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -138.93 89.06 13.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.595 0.712 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.297 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.26 108.63 16.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.8 t -108.33 89.18 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.68 50.89 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -45.61 -34.05 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -51.57 -39.26 57.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -121.41 -69.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.625 ' CD2' HG23 ' A' ' 149' ' ' ILE . 24.6 p90 -138.38 135.73 35.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.718 HD13 ' N ' ' A' ' 121' ' ' MET . 3.4 tm? -91.31 142.13 28.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.718 ' N ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -130.49 109.39 10.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.444 ' HB1' ' HE1' ' A' ' 109' ' ' PHE . . . -109.33 143.56 38.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.532 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.8 t-160 -120.84 118.9 31.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.875 HD12 ' HB2' ' A' ' 109' ' ' PHE . 3.7 tt -132.21 126.7 34.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' A' ' 123' ' ' HIS . 20.5 mt -109.4 138.7 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.43 122.71 36.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -110.78 105.86 14.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -149.8 157.46 43.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 42.4 t0 62.98 31.61 16.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.35 13.01 64.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -140.55 153.87 46.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.0 t -143.06 159.96 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -152.94 156.57 39.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -94.12 109.43 21.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.676 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -98.17 138.6 35.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.676 ' N ' HD13 ' A' ' 135' ' ' LEU . 8.0 mtp -144.55 112.89 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.637 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -100.6 113.34 4.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.449 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' A' ' 153' ' ' PHE . 9.1 tp -78.92 125.9 29.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.949 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.642 ' HD2' HD12 ' A' ' 120' ' ' LEU . 5.3 m-85 -121.03 157.81 29.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -151.08 154.62 25.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -51.3 -28.31 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -112.11 162.53 20.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 0.0 110.936 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.3 Cg_endo -69.81 -6.08 17.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.0 141.83 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.642 HD22 HG21 ' A' ' 149' ' ' ILE . 20.7 mt -108.85 142.2 39.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.1 t -66.16 -180.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.7 m -80.52 -7.88 59.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.06 -31.33 17.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.642 HG21 HD22 ' A' ' 145' ' ' LEU . 92.2 mt -90.87 -44.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -53.17 -31.55 43.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.73 -31.73 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -63.06 -21.55 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 13.5 t80 -77.79 -46.06 22.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.423 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -55.41 -31.17 61.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.32 -44.62 96.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.65 -36.08 67.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 84.4 m -54.21 -69.21 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.06 -35.75 64.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.04 -33.77 76.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.63 -3.51 58.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 102.16 11.15 37.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 42.8 mt -103.69 105.2 17.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.453 HD12 ' CG ' ' A' ' 165' ' ' GLU . 0.0 OUTLIER -45.44 149.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.552 ' HA ' HD13 ' A' ' 167' ' ' ILE . 16.7 tpt85 -69.65 -33.71 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.453 ' CG ' HD12 ' A' ' 163' ' ' LEU . 14.2 pt-20 -68.01 -11.65 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.478 ' O ' HD12 ' A' ' 168' ' ' ILE . 2.0 m-20 -86.51 -7.12 58.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.58 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -71.83 113.5 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.584 HD13 ' CG1' ' A' ' 51' ' ' ILE . 1.4 mp -101.08 113.96 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.661 ' HA ' HG23 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -77.48 118.24 19.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.844 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.555 ' O ' HD12 ' A' ' 170' ' ' LEU . 1.6 pp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.86 0.362 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.66 ' O ' HG22 ' A' ' 114' ' ' THR . . . -153.79 -179.48 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 p -132.01 156.49 46.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -68.22 -11.81 59.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.7 p -56.23 -21.66 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 40.04 1.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.417 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 18.1 ttp85 -124.57 100.06 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.5 t30 54.59 46.7 24.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.504 ' CD2' HG21 ' A' ' 114' ' ' THR . 23.4 t80 -100.0 140.52 34.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -129.91 95.73 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.935 HG23 HD11 ' A' ' 34' ' ' ILE . 9.2 p -74.27 -15.77 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.61 -30.88 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -56.02 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.935 HD11 HG23 ' A' ' 31' ' ' VAL . 46.2 pt -56.29 -21.74 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -62.71 126.7 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.61 -171.24 22.05 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.459 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -60.86 119.4 8.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.838 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.5 m95 -106.82 178.85 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -162.7 148.16 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.35 99.09 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.645 HG21 HD12 ' A' ' 145' ' ' LEU . 9.7 mm -65.33 -70.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.64 HG12 HG22 ' A' ' 41' ' ' ILE . 23.3 mm -142.93 146.63 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.556 HD23 HG22 ' A' ' 51' ' ' ILE . 1.1 tp -117.28 126.15 52.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.526 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -132.05 129.19 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.517 ' OG ' HD12 ' A' ' 51' ' ' ILE . 13.6 p -171.34 151.18 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.3 t70 -68.55 81.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.626 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.94 75.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.69 ' HD2' HD11 ' A' ' 168' ' ' ILE . 9.9 mmm-85 -55.02 -28.83 55.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.6 -7.11 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -100.68 -45.43 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -104.61 45.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -172.54 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -49.45 -52.28 30.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -115.09 57.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.15 -167.96 44.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.559 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -116.89 -13.85 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -109.65 2.26 20.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -82.93 4.9 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.635 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.1 pp -50.04 150.54 2.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.07 131.64 34.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' A' ' 38' ' ' TRP . 45.7 tp -74.22 149.33 40.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.33 -170.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -80.25 107.36 12.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.838 HD12 ' CD1' ' A' ' 38' ' ' TRP . 13.1 mt -62.0 132.81 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.449 ' HB3' ' HB ' ' A' ' 72' ' ' VAL . 25.3 t-80 -106.05 99.16 8.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.493 HG22 HG22 ' A' ' 31' ' ' VAL . 75.7 t -54.23 139.73 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.72 HD11 ' CG2' ' A' ' 72' ' ' VAL . 18.3 mt -129.83 -167.98 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.64 -55.4 19.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.59 9.47 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.428 ' HB2' HD12 ' A' ' 67' ' ' LEU . 5.8 m -131.82 -179.59 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.482 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -144.57 121.6 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.72 ' CG2' HD11 ' A' ' 67' ' ' LEU . 18.8 t -80.63 111.54 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.592 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.3 pt? -122.23 133.47 54.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -112.85 151.56 30.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.573 ' CB ' HD22 ' A' ' 59' ' ' LEU . 18.4 m-85 -121.11 167.51 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -120.82 99.89 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 59' ' ' LEU . 75.7 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.476 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -111.19 179.25 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.8 p -122.15 113.96 20.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.418 ' HE3' HD12 ' A' ' 86' ' ' LEU . 16.1 mmt -118.92 159.35 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.9 t -149.86 102.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.57 114.68 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.15 179.78 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.3 172.07 14.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 100' ' ' SER . 17.8 p -144.91 179.47 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.7 -24.89 59.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 175.24 9.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.81 107.11 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 105.19 -31.43 8.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.66 ' HA ' HG22 ' A' ' 110' ' ' THR . 3.3 tt0 -80.87 109.95 15.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 0.0 110.835 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.482 ' CE2' HD21 ' A' ' 71' ' ' LEU . 6.7 m-85 -89.91 160.95 16.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.432 ' HB3' HG22 ' A' ' 93' ' ' THR . 1.1 t -123.95 127.56 48.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 p -121.06 139.97 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.1 m -74.12 92.44 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.61 172.15 6.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -50.38 -26.62 5.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.96 169.05 28.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -50.02 118.66 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.377 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.41 167.4 30.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.54 130.38 13.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.669 ' CB ' HD12 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -107.88 142.94 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.66 HG22 ' HA ' ' A' ' 98' ' ' GLU . 8.3 p -142.72 177.41 8.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 121' ' ' MET . 37.5 mt -137.21 90.84 15.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.633 0.73 . . . . 0.0 111.176 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.75 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' HZ3' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -115.35 108.09 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.2 t -105.96 88.08 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.75 51.54 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -44.82 -32.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -51.43 -42.59 61.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -121.14 -70.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.509 ' CD2' HG23 ' A' ' 149' ' ' ILE . 52.6 p90 -136.62 132.16 34.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.9 tp -94.11 147.81 22.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.52 ' O ' HG23 ' A' ' 111' ' ' ILE . 2.8 mtt -125.36 147.09 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.93 133.96 24.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -115.87 115.04 25.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.669 HD12 ' CB ' ' A' ' 109' ' ' PHE . 3.7 tt -125.97 151.53 46.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mt -140.96 133.22 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -123.47 128.18 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -116.23 99.6 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -138.45 156.27 47.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.0 t0 62.67 24.22 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.15 1.69 80.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -125.97 155.07 41.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.4 t -144.16 159.49 42.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -150.48 152.37 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -90.2 108.51 19.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.637 HD13 ' N ' ' A' ' 136' ' ' MET . 3.3 tm? -94.86 139.51 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.637 ' N ' HD13 ' A' ' 135' ' ' LEU . 6.0 mtt -138.35 113.79 9.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.977 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.482 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -104.06 109.81 3.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.443 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.94 126.61 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.605 ' N ' HD23 ' A' ' 138' ' ' LEU . 13.4 m-85 -121.85 148.03 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.18 153.32 25.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -51.44 -27.99 11.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.704 0.288 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.409 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -112.17 162.29 22.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.69 0.757 . . . . 0.0 110.862 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.5 Cg_endo -69.73 -6.03 17.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -150.17 139.29 21.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.645 HD12 HG21 ' A' ' 41' ' ' ILE . 24.0 mt -108.87 144.72 36.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 178.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.8 m -79.55 -4.59 52.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.94 -33.62 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.627 ' CG2' HD13 ' A' ' 145' ' ' LEU . 74.0 mt -90.57 -44.54 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -28.0 39.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.86 -30.03 58.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -62.95 -35.01 78.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 16.6 t80 -73.01 -39.61 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.63 -23.78 43.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -66.88 -51.94 49.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.438 HD22 ' HZ3' ' A' ' 113' ' ' LYS . 11.6 tp -62.39 -24.66 67.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 62.9 m -66.7 -67.57 0.44 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -55.59 -25.55 39.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.71 -26.1 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -94.19 0.68 55.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 102.39 0.86 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 31.7 mt -95.32 101.3 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.36 . . . . 0.0 111.199 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.44 148.25 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.69 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.1 OUTLIER -61.52 -22.2 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.658 ' HB2' HD12 ' A' ' 163' ' ' LEU . 13.6 mm-40 -74.45 -22.51 59.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.549 ' O ' HD12 ' A' ' 168' ' ' ILE . 38.3 m-20 -79.3 -4.63 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.69 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -73.55 109.6 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.69 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.6 mp -102.79 130.09 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 42' ' ' ILE . 6.9 m-20 -84.89 136.82 33.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 170' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.54 ' O ' HG22 ' A' ' 114' ' ' THR . . . -167.49 -179.44 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -136.08 160.26 39.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.06 -8.06 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 p -59.08 -19.3 43.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.47 40.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -129.13 99.94 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.02 43.41 24.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD1' HG21 ' A' ' 114' ' ' THR . 31.1 t80 -94.82 137.53 33.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -129.94 93.52 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.782 HG23 HD11 ' A' ' 34' ' ' ILE . 7.9 p -74.87 -11.97 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -73.16 -12.21 60.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -89.3 -53.16 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.782 HD11 HG23 ' A' ' 31' ' ' VAL . 21.2 pt -56.49 -22.67 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -60.67 126.71 28.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.84 179.63 16.36 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -53.98 119.59 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.79 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.8 m95 -105.47 -178.78 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -163.0 144.7 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.468 HG22 HD21 ' A' ' 170' ' ' LEU . 2.8 m -93.59 99.74 12.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.735 HG21 HD12 ' A' ' 145' ' ' LEU . 8.3 mm -68.32 -68.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 169' ' ' ASP . 22.5 mm -140.31 150.14 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.662 HD12 ' HA2' ' A' ' 137' ' ' GLY . 4.7 tp -120.79 123.57 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -129.2 130.54 46.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.2 t -170.33 150.14 3.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.9 t0 -70.85 81.27 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.78 65.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.641 ' CD ' HD11 ' A' ' 168' ' ' ILE . 2.7 mmm180 -52.69 -33.75 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.58 -12.61 54.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.551 ' NZ ' HD23 ' A' ' 135' ' ' LEU . 3.5 ttpp -101.05 -34.03 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.734 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -108.29 42.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.13 -170.69 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -45.88 -49.65 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -107.55 47.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.42 -179.79 47.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -118.64 -20.91 8.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 110.809 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -103.8 -0.42 29.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -85.96 50.83 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -104.67 156.1 18.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.91 160.43 28.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.7 tp -103.6 151.39 22.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -171.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -81.13 107.47 13.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.79 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.7 mt -63.58 139.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.08 99.84 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.26 101.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.622 HD11 HG23 ' A' ' 72' ' ' VAL . 20.8 mt -85.14 -166.39 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -54.96 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -131.29 -20.19 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m -108.35 -179.19 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.797 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -143.1 138.01 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.622 HG23 HD11 ' A' ' 67' ' ' LEU . 61.4 t -97.79 115.23 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.597 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.5 pt? -123.27 133.97 54.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -118.45 151.57 37.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.757 ' HB3' HD22 ' A' ' 59' ' ' LEU . 93.5 m-85 -129.87 -173.97 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.958 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -149.55 106.04 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.707 ' CG2' HD23 ' A' ' 59' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.691 ' H ' HD23 ' A' ' 86' ' ' LEU . 2.6 pt? -124.17 -179.78 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.8 p -140.37 135.11 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.438 ' HE3' ' CD1' ' A' ' 103' ' ' TYR . 7.0 mmt -135.42 165.75 24.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.9 p -150.41 112.54 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.82 118.86 21.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.39 155.11 20.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -72.04 165.07 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.522 HG21 ' HB3' ' A' ' 100' ' ' SER . 53.3 p -151.0 -179.9 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -78.43 -12.32 60.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -58.73 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.59 99.64 8.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.91 15.14 59.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.71 ' HA ' HG22 ' A' ' 110' ' ' THR . 4.1 tt0 -112.22 108.34 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.543 ' CE2' HD21 ' A' ' 71' ' ' LEU . 4.8 m-85 -80.21 162.68 24.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.522 ' HB3' HG21 ' A' ' 93' ' ' THR . 90.4 p -121.4 117.19 26.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 13.3 p -111.66 131.27 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.3 m -69.76 92.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.438 ' CD1' ' HE3' ' A' ' 88' ' ' MET . 0.7 OUTLIER -107.06 172.69 6.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.8 -27.56 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.45 161.71 27.67 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -49.54 119.57 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.662 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -156.67 169.97 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.63 126.27 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.84 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.4 t80 -99.09 128.25 45.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.71 HG22 ' HA ' ' A' ' 98' ' ' GLU . 10.9 p -133.16 174.86 9.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.169 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.54 HD11 ' HZ ' ' A' ' 109' ' ' PHE . 40.7 mt -139.0 89.9 12.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 54.1 Cg_endo -69.65 -48.81 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.556 ' HD3' HD22 ' A' ' 156' ' ' LEU . 1.6 mptm? -112.55 107.97 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.625 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.7 t -110.51 89.57 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.72 51.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.78 -32.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.978 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -47.47 -45.66 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -122.32 -69.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.585 ' CD2' HG23 ' A' ' 149' ' ' ILE . 25.1 p90 -133.59 133.6 42.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 114' ' ' THR . 23.2 tp -92.62 150.69 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.638 ' CE ' HD23 ' A' ' 156' ' ' LEU . 7.3 mmm -132.87 136.46 46.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.03 163.6 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.563 ' CE1' HD11 ' A' ' 125' ' ' ILE . 13.6 t-160 -143.27 114.29 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.84 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.4 tt -125.16 136.58 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 123' ' ' HIS . 21.6 mt -125.15 130.4 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.037 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -121.1 128.28 52.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -114.09 99.54 7.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.93 157.02 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.68 24.22 14.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.22 1.15 79.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.558 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -126.6 155.71 42.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.4 t -140.94 158.49 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -147.96 153.08 38.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -93.29 109.98 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.551 HD23 ' NZ ' ' A' ' 50' ' ' LYS . 3.1 tm? -98.83 135.16 40.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.47 ' H ' HD22 ' A' ' 135' ' ' LEU . 3.4 mtp -140.21 112.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.662 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -102.5 117.22 5.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 139' ' ' TYR . 3.5 tp -85.27 126.92 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.652 ' N ' HD12 ' A' ' 138' ' ' LEU . 22.8 m-85 -119.65 153.82 34.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -140.84 149.3 20.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -52.83 -24.08 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.0 OUTLIER -116.02 163.36 21.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.749 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.2 Cg_endo -69.79 -3.68 12.51 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.256 . . . . 0.0 112.362 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -150.41 139.17 20.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.735 HD12 HG21 ' A' ' 41' ' ' ILE . 17.2 mt -109.38 148.13 31.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.8 t -74.42 -179.85 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.0 m -81.13 -5.96 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -30.76 17.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.585 HG23 ' CD2' ' A' ' 119' ' ' PHE . 92.5 mt -90.84 -44.34 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -53.31 -31.17 42.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -71.74 -31.42 66.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -64.73 -19.83 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.597 ' HB2' HD22 ' A' ' 138' ' ' LEU . 12.5 t80 -82.93 -43.67 16.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.31 -25.29 33.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -63.04 -59.74 4.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.638 HD23 ' CE ' ' A' ' 121' ' ' MET . 16.7 tp -61.57 -28.58 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 91.4 m -58.2 -68.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.42 -25.94 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -73.16 -30.48 63.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -90.5 6.86 41.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.49 22.63 31.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.537 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.62 102.83 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 0.0 111.043 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.07 154.31 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.743 ' HA ' HD13 ' A' ' 167' ' ' ILE . 19.2 tpt85 -68.06 -23.54 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.588 ' HB2' HD12 ' A' ' 163' ' ' LEU . 4.7 mm-40 -71.65 -18.53 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.512 ' O ' HD12 ' A' ' 168' ' ' ILE . 28.7 m-20 -82.75 -9.57 59.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.743 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -70.77 109.79 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.734 HD13 HG13 ' A' ' 51' ' ' ILE . 1.3 mp -101.13 112.95 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.621 ' HA ' HD12 ' A' ' 42' ' ' ILE . 8.2 p-10 -78.13 121.69 24.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.468 HD21 HG22 ' A' ' 40' ' ' THR . 1.3 pp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 114' ' ' THR . . . -160.38 -179.33 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -133.87 155.18 50.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 p -69.41 -11.11 60.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.8 p -54.58 -24.29 20.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.55 40.16 1.38 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -129.03 99.81 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 58.84 43.99 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CD2' HG21 ' A' ' 114' ' ' THR . 31.8 t80 -99.41 142.37 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -128.99 102.9 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.875 HG23 HD11 ' A' ' 34' ' ' ILE . 8.3 p -84.61 -12.21 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.48 -21.61 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -80.49 -55.11 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.875 HD11 HG23 ' A' ' 31' ' ' VAL . 22.2 pt -56.67 -22.48 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -61.88 125.45 23.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.72 179.66 16.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -51.43 119.64 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.814 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.1 m95 -106.13 -178.58 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -162.57 149.26 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.58 99.71 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.647 HG21 HD12 ' A' ' 145' ' ' LEU . 6.7 mm -67.84 -68.5 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.575 HD13 ' O ' ' A' ' 41' ' ' ILE . 26.4 mm -139.07 146.09 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.519 HD12 ' HA2' ' A' ' 137' ' ' GLY . 4.0 tp -116.6 120.31 38.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -128.06 132.77 49.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.639 ' HB2' HD22 ' A' ' 135' ' ' LEU . 40.1 t -167.19 150.62 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.1 p-10 -69.52 81.5 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.68 73.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.773 ' HD2' HD11 ' A' ' 168' ' ' ILE . 13.9 mmm-85 -56.3 -26.68 52.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.61 -3.33 43.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.01 -50.68 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.847 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -94.5 40.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.97 -170.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.44 119.73 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 60.75 38.59 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.47 -160.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -118.9 -28.77 5.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -100.61 -11.13 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.689 ' CG ' HD11 ' A' ' 170' ' ' LEU . 63.4 ttp85 -74.79 71.48 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.644 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -122.78 156.18 35.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.31 150.67 29.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.689 HD23 ' HB3' ' A' ' 38' ' ' TRP . 29.3 tp -95.96 150.25 20.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.61 -172.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -81.62 108.18 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.814 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.5 mt -62.22 139.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 100.84 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 31' ' ' VAL . 90.2 t -65.18 106.09 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.73 HD11 HG23 ' A' ' 72' ' ' VAL . 29.6 mt -91.15 -167.97 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.89 -53.47 52.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -133.54 -17.13 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -109.04 -179.64 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -144.66 124.78 13.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.73 HG23 HD11 ' A' ' 67' ' ' LEU . 57.4 t -86.04 118.02 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.713 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.1 pt? -123.58 137.06 54.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -119.44 153.02 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.713 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 82.4 m-85 -130.75 169.1 16.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -118.57 114.82 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.822 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.644 ' CG2' HD23 ' A' ' 59' ' ' LEU . 30.1 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 86' ' ' LEU . 1.2 pt? -110.79 173.18 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -122.18 131.4 53.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -133.62 166.84 21.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 89' ' ' VAL . 2.6 p -150.49 103.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.97 103.45 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.45 170.68 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -85.63 166.14 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.448 HG21 ' HB3' ' A' ' 100' ' ' SER . 64.5 p -150.42 166.6 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -18.02 58.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -58.32 -179.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.78 109.8 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 57.02 30.88 60.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.64 ' HA ' HG22 ' A' ' 110' ' ' THR . 7.8 tt0 -126.08 112.12 15.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.643 ' CE2' HD21 ' A' ' 71' ' ' LEU . 27.3 m-85 -87.18 156.41 19.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.448 ' HB3' HG21 ' A' ' 93' ' ' THR . 45.9 p -115.4 117.8 31.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.9 p -112.81 134.56 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 m -71.44 92.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -106.83 172.01 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -49.58 -26.77 3.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.61 163.67 28.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -49.82 117.3 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.676 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -153.28 170.29 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.73 123.91 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.829 ' HB2' HD12 ' A' ' 124' ' ' LEU . 0.8 OUTLIER -99.56 128.98 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 98' ' ' GLU . 5.0 p -134.07 176.37 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 121' ' ' MET . 24.6 mt -137.23 90.47 15.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.79 -48.26 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.78 2.32 . . . . 0.0 112.323 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.03 108.34 17.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.643 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.7 t -110.89 89.59 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.54 52.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.69 -32.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -50.04 -43.82 51.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -120.86 -69.56 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.589 ' CD2' HG23 ' A' ' 149' ' ' ILE . 19.1 p90 -137.12 133.57 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 114' ' ' THR . 20.4 tp -91.69 149.15 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.496 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.1 mtm -131.77 138.01 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.67 154.7 49.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.457 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.8 t-160 -134.38 117.42 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.829 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.4 tt -126.38 151.97 46.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' A' ' 123' ' ' HIS . 34.5 mt -141.66 127.14 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -119.73 125.35 48.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -111.03 99.87 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -138.51 157.04 46.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.19 29.02 18.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.09 7.16 66.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.554 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -132.11 152.76 51.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.5 158.33 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -148.36 151.47 35.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -93.08 106.48 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -92.88 139.93 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.684 ' N ' HD13 ' A' ' 135' ' ' LEU . 15.1 ttm -140.2 116.1 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.519 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -109.8 112.38 3.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.677 HD21 HD12 ' A' ' 145' ' ' LEU . 12.5 tp -80.25 140.05 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.518 ' H ' HD12 ' A' ' 138' ' ' LEU . 17.6 m-85 -133.97 156.34 48.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.66 153.82 25.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -53.67 -26.6 23.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.409 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.9 OUTLIER -107.78 162.86 18.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.754 0.788 . . . . 0.0 110.816 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.1 Cg_endo -69.72 -6.6 18.96 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -152.86 149.71 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.677 HD12 HD21 ' A' ' 138' ' ' LEU . 33.3 mt -113.27 149.68 33.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.8 t -74.79 -179.79 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.3 m -78.68 -5.64 53.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.33 -33.33 16.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.589 HG23 ' CD2' ' A' ' 119' ' ' PHE . 89.8 mt -90.86 -44.77 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -31.3 43.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -70.81 -31.5 68.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -66.16 -21.47 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -80.72 -47.72 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.0 -25.42 29.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -57.23 -56.57 20.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.65 HD23 ' SD ' ' A' ' 136' ' ' MET . 13.6 tp -66.84 -26.34 66.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 86.3 m -65.19 -68.64 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.47 -25.31 62.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.32 -23.65 60.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -100.52 10.1 41.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 100.03 -16.37 58.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 43.2 mt -77.2 92.11 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.677 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.11 169.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.822 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -66.03 -36.54 83.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.677 ' HB2' HD12 ' A' ' 163' ' ' LEU . 18.4 mm-40 -60.88 -18.38 55.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -83.31 -12.51 56.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.822 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.9 mp -78.27 109.58 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.847 HD13 HG13 ' A' ' 51' ' ' ILE . 1.9 mp -102.37 126.13 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.545 ' HA ' HD12 ' A' ' 42' ' ' ILE . 9.4 m-20 -81.13 125.31 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.689 HD11 ' CG ' ' A' ' 58' ' ' ARG . 4.2 mm? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.708 ' O ' HG22 ' A' ' 114' ' ' THR . . . -145.33 -178.42 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 p -129.37 163.55 25.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 p -72.83 -6.57 45.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.3 p -52.09 -24.19 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.24 40.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.33 121.89 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.427 ' OD1' ' HB2' ' A' ' 22' ' ' ALA . 0.7 OUTLIER 39.48 44.21 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.528 ' CD2' HG21 ' A' ' 114' ' ' THR . 34.5 t80 -100.1 131.97 45.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -120.67 108.65 14.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.834 HG23 HD11 ' A' ' 34' ' ' ILE . 10.5 p -89.31 -15.03 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.14 -11.38 60.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -90.1 -54.86 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.834 HD11 HG23 ' A' ' 31' ' ' VAL . 31.9 pt -54.52 -25.79 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.048 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -57.45 130.52 46.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.12 -178.45 17.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.91 119.35 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.764 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.1 m95 -105.69 179.64 4.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -161.81 147.06 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -92.59 99.46 12.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.704 HG21 HD12 ' A' ' 145' ' ' LEU . 12.0 mm -70.89 -69.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 169' ' ' ASP . 26.5 mm -140.28 148.5 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.579 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.3 tp -117.03 133.64 55.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.565 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -139.36 129.25 24.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.5 ' HB2' HD22 ' A' ' 135' ' ' LEU . 44.4 t -170.77 148.37 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 30.1 t0 -68.84 81.25 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.535 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.85 74.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.601 ' HD2' HD11 ' A' ' 168' ' ' ILE . 9.5 mmm-85 -55.02 -28.58 53.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.42 -5.07 43.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.51 -43.13 6.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -110.16 50.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -171.46 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -49.77 -37.9 31.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -122.76 68.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.83 -173.73 20.7 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.433 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -117.67 -25.77 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -90.36 -19.76 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -77.26 59.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -116.2 156.97 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.8 159.89 33.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 38' ' ' TRP . 58.3 tp -107.46 153.3 23.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.51 -172.03 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -81.57 108.01 14.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.764 HD12 ' CD1' ' A' ' 38' ' ' TRP . 4.1 mt -63.05 140.11 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -105.56 99.14 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.532 HG22 HG22 ' A' ' 31' ' ' VAL . 69.2 t -63.86 128.58 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.471 HD12 ' HB2' ' A' ' 70' ' ' SER . 16.3 mt -116.82 -167.68 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -54.34 -53.21 56.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -133.28 -20.05 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.471 ' HB2' HD12 ' A' ' 67' ' ' LEU . 4.7 m -108.43 -179.68 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -155.05 122.82 5.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.872 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.441 HG23 HD11 ' A' ' 67' ' ' LEU . 47.1 t -79.83 147.73 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.67 131.07 15.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -107.43 152.83 23.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.712 ' HB3' HD22 ' A' ' 59' ' ' LEU . 92.9 m-85 -131.83 172.24 12.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -118.61 126.55 52.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.812 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.632 ' CG2' HD23 ' A' ' 59' ' ' LEU . 74.1 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.931 0.395 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.532 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.8 OUTLIER -103.95 176.59 5.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -134.43 111.89 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.532 ' CE ' HD12 ' A' ' 86' ' ' LEU . 25.5 mmt -107.45 164.58 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.474 HG22 ' OD1' ' A' ' 91' ' ' ASP . 4.2 p -150.38 116.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.708 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -98.5 116.69 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.474 ' OD1' HG22 ' A' ' 89' ' ' VAL . 5.5 m-20 -115.2 160.13 20.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -69.08 152.49 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.524 HG21 ' HB3' ' A' ' 100' ' ' SER . 71.1 p -140.16 177.14 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -57.17 -23.85 50.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -58.18 179.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.03 106.89 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.42 32.54 83.36 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 110' ' ' THR . 11.8 tt0 -128.41 116.38 19.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.708 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 48.4 m-85 -79.32 169.37 18.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.524 ' HB3' HG21 ' A' ' 93' ' ' THR . 56.6 p -131.36 117.77 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 m -110.93 170.44 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.0 m -111.42 91.45 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.41 173.12 6.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -48.25 -28.1 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.58 162.18 26.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -49.78 122.66 6.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.615 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -159.51 166.26 31.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -140.09 137.15 34.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.798 ' HB2' HD12 ' A' ' 124' ' ' LEU . 6.0 t80 -102.26 138.79 38.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 98' ' ' GLU . 17.1 p -146.43 174.06 11.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 121' ' ' MET . 12.3 mt -136.87 95.54 12.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.695 . . . . 0.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.4 Cg_endo -69.86 -47.49 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.308 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.31 108.92 16.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.4 t -106.87 88.35 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -112.87 52.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -32.58 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.85 -44.17 49.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -121.06 -70.23 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.615 ' CD1' HG23 ' A' ' 149' ' ' ILE . 21.2 p90 -134.85 132.84 39.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.4 tp -92.17 148.46 22.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.633 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.7 ttm -125.09 147.32 49.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.6 161.89 35.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.477 ' CE1' HD11 ' A' ' 125' ' ' ILE . 8.8 t-160 -149.94 106.67 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.7 tt -120.8 124.59 45.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.477 HD11 ' CE1' ' A' ' 123' ' ' HIS . 64.3 mt -107.16 133.43 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -125.72 123.0 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -108.98 103.4 12.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 156.05 41.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.08 33.93 11.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.74 11.89 58.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -139.21 152.55 47.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.41 158.41 44.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -155.31 155.36 33.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -102.36 107.08 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.682 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -89.35 140.36 29.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.682 ' N ' HD13 ' A' ' 135' ' ' LEU . 53.3 mtm -138.48 108.97 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.579 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -98.0 116.74 5.62 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.511 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.64 125.21 29.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.616 ' N ' HD23 ' A' ' 138' ' ' LEU . 21.8 m-85 -120.19 155.35 33.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.43 157.49 27.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -47.19 -53.36 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 2.0 mt-10 -93.17 161.01 32.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.2 Cg_endo -69.89 -5.87 17.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.31 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -140.03 132.92 29.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.704 HD12 HG21 ' A' ' 41' ' ' ILE . 23.4 mt -108.51 138.42 44.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -62.78 175.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.3 m -77.1 -9.13 58.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -86.92 -32.37 20.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.615 HG23 ' CD1' ' A' ' 119' ' ' PHE . 83.4 mt -90.94 -47.47 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -31.15 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -71.11 -28.51 64.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -59.97 -42.76 94.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 12.9 t80 -66.4 -25.45 66.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.698 ' HB1' ' CD ' ' A' ' 164' ' ' ARG . . . -76.62 -16.17 59.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -78.83 -28.53 44.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.49 HD22 ' SD ' ' A' ' 121' ' ' MET . 3.0 tp -91.27 -36.3 13.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 9.3 p -49.87 -33.54 17.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.38 -40.37 67.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -70.92 -10.81 60.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -104.95 5.89 33.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.16 -19.21 47.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 25.7 mt -74.74 99.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 111.074 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.68 148.25 4.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.698 ' CD ' ' HB1' ' A' ' 154' ' ' ALA . 1.3 mmm-85 -59.51 -22.53 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.643 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.5 mt-10 -78.03 -25.71 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.577 ' O ' HD12 ' A' ' 168' ' ' ILE . 11.7 m-20 -70.54 -11.04 60.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.565 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -70.29 113.91 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.601 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -99.73 114.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.644 ' HA ' HD12 ' A' ' 42' ' ' ILE . 2.4 m-20 -89.08 122.44 32.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 114' ' ' THR . . . -167.45 -178.68 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.34 160.83 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -9.77 58.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.6 p -58.25 -20.25 40.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.34 40.16 1.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.565 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -124.45 100.3 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.83 48.38 22.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.49 ' CD2' HG21 ' A' ' 114' ' ' THR . 27.5 t80 -99.88 139.56 35.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -130.04 105.18 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.883 HG23 HD11 ' A' ' 34' ' ' ILE . 8.9 p -85.08 -14.52 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.49 -12.7 61.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -89.66 -57.15 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.883 HD11 HG23 ' A' ' 31' ' ' VAL . 25.5 pt -52.5 -27.44 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -55.95 148.02 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.32 -167.98 12.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -64.35 120.03 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 110.833 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.768 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.3 m95 -103.84 -178.07 3.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -162.88 144.27 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.44 99.6 11.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.696 HG21 HD12 ' A' ' 145' ' ' LEU . 7.8 mm -68.59 -68.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 41' ' ' ILE . 25.5 mm -140.65 146.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.647 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.3 tp -118.98 141.04 49.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.669 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -145.99 133.38 20.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.507 ' OG ' HD12 ' A' ' 51' ' ' ILE . 54.2 p -170.89 147.99 2.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 52.6 t0 -67.64 80.33 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.615 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.17 77.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.813 ' HD2' HD11 ' A' ' 168' ' ' ILE . 6.0 mmm180 -54.74 -28.62 49.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -75.3 -6.36 49.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.52 -41.92 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.747 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -108.1 47.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.69 -172.58 2.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.39 -40.29 49.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -119.31 69.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.61 -172.05 19.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.548 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -115.29 -28.65 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -91.97 -11.75 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -83.74 67.0 9.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.964 HD23 HG23 ' A' ' 77' ' ' THR . 0.3 OUTLIER -126.1 154.13 43.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.65 133.18 42.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.1 tp -77.88 152.54 33.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -109.51 -171.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -80.32 108.55 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.768 HD12 ' CD1' ' A' ' 38' ' ' TRP . 46.5 mt -70.17 136.02 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.16 136.73 41.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -95.48 118.39 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.592 HD21 HG23 ' A' ' 72' ' ' VAL . 1.8 mm? -108.29 -170.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.87 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -139.79 10.21 2.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.421 ' C ' HD23 ' A' ' 71' ' ' LEU . 1.4 m -124.41 179.06 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -148.86 116.45 6.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.592 HG23 HD21 ' A' ' 67' ' ' LEU . 92.5 t -82.42 118.72 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.744 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.5 pt? -122.84 135.03 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -118.94 152.08 36.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.791 ' HB3' HD22 ' A' ' 59' ' ' LEU . 77.2 m-85 -130.44 175.59 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -129.89 115.1 16.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.964 HG23 HD23 ' A' ' 59' ' ' LEU . 1.4 p . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -110.67 -179.63 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -132.7 105.39 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.469 ' SD ' HD12 ' A' ' 86' ' ' LEU . 20.7 mmt -107.71 161.44 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 89' ' ' VAL . 4.1 p -150.26 116.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.97 112.28 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.56 165.59 11.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -76.42 167.46 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.5 p -150.27 -179.65 7.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -81.82 -0.08 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -77.78 -176.6 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.87 115.07 29.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 52.66 31.53 37.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.71 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.6 tt0 -132.15 104.74 6.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.75 161.76 24.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 t -120.89 121.55 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.3 p -112.95 132.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.6 m -69.37 92.19 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.83 172.97 6.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.05 -26.62 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.938 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.96 163.99 28.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.432 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -49.67 121.38 5.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.69 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -159.13 169.16 24.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.66 127.28 19.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.823 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.3 t80 -99.56 131.08 45.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.71 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.9 p -136.14 177.89 7.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.632 HG23 ' O ' ' A' ' 121' ' ' MET . 37.6 mt -139.94 97.36 7.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.614 0.721 . . . . 0.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 54.1 Cg_endo -69.72 -48.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.17 109.1 14.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.697 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.5 t -102.7 88.71 3.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.83 50.19 0.94 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.55 -33.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -47.21 -45.6 23.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -122.11 -69.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CD2' HG23 ' A' ' 149' ' ' ILE . 33.0 p90 -132.84 131.16 40.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 114' ' ' THR . 19.9 tp -92.58 150.23 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.632 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.8 ttt -126.71 135.93 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -135.89 143.78 45.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.539 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.9 t-80 -128.69 110.7 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.796 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.823 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.9 tt -120.45 140.57 51.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' A' ' 123' ' ' HIS . 23.0 mt -127.13 131.47 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -122.63 132.7 54.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -119.78 99.55 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -136.6 157.39 46.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 59.86 24.32 13.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.33 0.44 78.07 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.418 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -122.87 153.16 40.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -143.79 159.08 43.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -149.95 154.23 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -91.9 109.25 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 136' ' ' MET . 3.4 tm? -96.8 140.43 31.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.667 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.3 OUTLIER -145.86 109.56 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.647 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -100.25 120.36 6.85 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 139' ' ' TYR . 3.0 tp -89.86 118.93 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.511 ' N ' HD12 ' A' ' 138' ' ' LEU . 22.3 m-85 -111.58 157.92 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -147.47 148.61 20.33 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.574 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -30.26 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.532 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.2 mm-40 -110.53 160.62 27.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.737 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.4 Cg_endo -69.74 -4.66 14.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -147.52 136.54 22.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 41' ' ' ILE . 23.3 mt -108.74 143.37 37.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.0 t -69.08 176.41 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 m -77.84 -4.23 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -32.68 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.538 HG23 ' CD2' ' A' ' 119' ' ' PHE . 93.0 mt -90.59 -45.87 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -54.99 -29.37 56.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -74.44 -30.48 61.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -57.24 -41.58 79.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.813 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 44' ' ' ALA . 15.6 t80 -67.43 -39.57 85.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.583 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -56.82 -20.1 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.02 -24.5 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 41.6 tp -90.16 -36.17 14.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 13.6 p -57.97 -35.99 71.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -70.95 -30.98 67.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -74.36 -27.03 60.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -91.22 6.62 44.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.26 -19.98 43.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 19.2 mt -69.9 99.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.976 0.417 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.629 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.07 147.55 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.583 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 23.3 tpt180 -61.74 -18.19 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.797 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.629 ' HB2' HD12 ' A' ' 163' ' ' LEU . 19.2 mm-40 -82.62 -11.16 58.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.623 ' O ' HD12 ' A' ' 168' ' ' ILE . 19.2 m-20 -88.55 -8.55 54.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.669 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -70.75 113.88 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.813 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -98.64 135.49 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -75.67 134.01 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.656 ' O ' HG22 ' A' ' 114' ' ' THR . . . -157.47 -179.15 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 p -130.02 154.11 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -11.48 59.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.0 p -53.86 -23.9 14.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.59 40.22 1.37 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -125.98 99.9 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.0 t30 56.67 46.25 20.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CD2' HG21 ' A' ' 114' ' ' THR . 21.4 t80 -100.1 141.41 32.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -128.2 96.83 4.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.829 HG23 HD11 ' A' ' 34' ' ' ILE . 8.3 p -79.7 -15.07 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -68.8 -11.62 60.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.78 -55.34 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.829 HD11 HG23 ' A' ' 31' ' ' VAL . 25.8 pt -55.13 -24.4 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.76 130.08 45.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.52 -178.82 16.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.54 119.67 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.803 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.8 m95 -106.82 179.34 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.24 143.14 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.51 99.73 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.135 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.581 ' O ' HD13 ' A' ' 42' ' ' ILE . 6.8 mm -68.08 -68.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.581 HD13 ' O ' ' A' ' 41' ' ' ILE . 28.2 mm -138.33 147.6 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.627 HD12 ' HA2' ' A' ' 137' ' ' GLY . 6.3 tp -120.17 132.18 55.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.628 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -136.82 129.91 31.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.484 ' OG ' HD12 ' A' ' 51' ' ' ILE . 86.8 p -162.46 148.06 12.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 18.1 t0 -68.93 80.12 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.553 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.73 74.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.774 ' HD2' HD11 ' A' ' 168' ' ' ILE . 16.0 mmm-85 -54.84 -29.81 56.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.5 -6.37 46.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -50.2 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.823 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -94.0 40.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.4 -173.66 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -50.49 121.94 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 60.41 35.45 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.63 -160.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -118.79 -28.82 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.56 ' CD2' HD13 ' A' ' 135' ' ' LEU . 3.3 m-85 -96.98 -16.38 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.788 ' HG2' HD11 ' A' ' 170' ' ' LEU . 0.1 OUTLIER -72.47 78.39 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.695 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -132.16 154.43 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.84 159.41 28.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.626 HD23 ' HB3' ' A' ' 38' ' ' TRP . 48.7 tp -102.8 152.14 21.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -108.72 -172.78 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -81.2 108.26 14.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.803 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.5 mt -64.19 139.73 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -105.66 99.62 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.542 ' CG1' HG22 ' A' ' 31' ' ' VAL . 19.6 m -65.48 122.35 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.529 HD11 HG23 ' A' ' 72' ' ' VAL . 13.3 mt -109.86 -167.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -58.67 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -127.54 -19.2 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -108.75 -179.4 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.49 122.8 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.529 HG23 HD11 ' A' ' 67' ' ' LEU . 43.4 t -79.97 148.34 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.473 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.6 pt? -149.66 134.76 18.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -114.93 151.82 33.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.519 ' HB3' HD22 ' A' ' 59' ' ' LEU . 95.8 m-85 -128.78 172.48 11.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -124.64 114.58 19.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.695 ' CG2' HD23 ' A' ' 59' ' ' LEU . 14.5 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.153 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.913 0.387 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.685 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -109.38 -179.45 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.4 p -127.52 128.7 46.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.685 ' CE ' HD12 ' A' ' 86' ' ' LEU . 17.9 mmt -129.1 157.25 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 89' ' ' VAL . 2.6 p -150.31 100.4 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.59 124.29 30.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -122.4 164.67 17.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.24 155.6 39.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.3 p -142.04 171.35 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -57.64 -23.57 51.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -60.46 178.58 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.2 108.52 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.62 29.01 73.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.551 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.687 ' HA ' HG22 ' A' ' 110' ' ' THR . 11.5 tt0 -127.98 105.37 8.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -79.61 169.98 17.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.74 127.82 37.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -116.92 170.45 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.8 m -104.01 91.65 4.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.08 172.39 6.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -50.34 -26.42 4.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.93 169.5 27.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -49.88 120.93 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.52 170.61 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.7 135.21 20.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.836 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.1 t80 -104.84 135.97 45.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.687 HG22 ' HA ' ' A' ' 98' ' ' GLU . 15.6 p -142.21 176.66 8.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 121' ' ' MET . 34.6 mt -138.96 95.46 9.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.67 -48.64 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 108.96 15.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.3 t -105.5 88.43 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.08 51.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.65 -33.17 1.72 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -51.54 -42.29 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -120.64 -70.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CD1' HG23 ' A' ' 149' ' ' ILE . 42.7 p90 -137.2 131.21 32.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 114' ' ' THR . 20.3 tp -92.38 150.29 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.52 ' O ' HG23 ' A' ' 111' ' ' ILE . 4.8 mmm -129.86 131.03 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.99 138.07 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.526 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.8 t-160 -120.37 112.93 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.836 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.7 tt -126.82 133.41 50.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.526 HD11 ' CE1' ' A' ' 123' ' ' HIS . 11.0 mt -117.81 135.26 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.49 119.13 33.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -111.34 99.77 8.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -147.6 159.87 43.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 63.94 34.71 11.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.25 19.35 63.97 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -149.32 157.15 43.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.8 t -144.42 159.94 41.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.511 ' HE2' HD12 ' A' ' 135' ' ' LEU . 0.8 OUTLIER -147.58 152.23 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.873 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -95.59 117.47 30.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 57' ' ' PHE . 4.9 tt -116.1 137.51 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.11 108.98 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.627 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -90.29 120.64 5.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 139' ' ' TYR . 3.7 tp -93.19 121.33 34.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.501 ' N ' HD12 ' A' ' 138' ' ' LEU . 19.1 m-85 -114.2 160.09 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.76 150.29 22.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -50.32 -31.02 13.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 0.0 110.816 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -105.71 161.23 23.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.557 0.694 . . . . 0.0 110.914 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.4 Cg_endo -69.75 -6.62 19.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -149.2 142.11 24.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.577 HD12 HG21 ' A' ' 41' ' ' ILE . 24.9 mt -108.95 141.2 41.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.2 t -65.47 179.64 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.5 m -79.26 -6.04 55.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.07 -32.62 17.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.577 HG22 HD13 ' A' ' 145' ' ' LEU . 84.8 mt -90.74 -47.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -31.05 43.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.84 -31.48 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -57.59 -44.22 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 9.0 t80 -65.1 -37.31 87.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.697 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -64.53 -18.41 64.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -81.17 -24.6 37.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 13.6 tp -90.31 -39.37 12.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 13.7 p -52.88 -34.59 55.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -70.94 -30.57 66.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -76.09 -24.4 55.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -93.26 6.65 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.31 -17.22 55.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.2 mt -73.0 99.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.34 148.34 3.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.697 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 27.6 tpt85 -58.57 -22.39 55.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.68 ' HB2' HD12 ' A' ' 163' ' ' LEU . 4.4 mm-40 -76.4 -25.62 54.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -71.49 -9.73 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.628 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -73.87 122.41 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.823 HD13 HG13 ' A' ' 51' ' ' ILE . 1.4 mp -112.33 114.92 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.546 ' HA ' HD12 ' A' ' 42' ' ' ILE . 5.7 p-10 -71.24 131.91 44.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.788 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.0 mm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.662 ' O ' HG22 ' A' ' 114' ' ' THR . . . -170.29 -178.82 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -132.0 156.68 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -10.59 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.2 p -54.28 -24.55 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.5 40.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -127.41 100.28 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 t30 56.1 47.44 19.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CD2' HG21 ' A' ' 114' ' ' THR . 29.3 t80 -100.1 141.99 32.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -127.77 107.12 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.78 HG23 HD11 ' A' ' 34' ' ' ILE . 9.2 p -89.61 -12.69 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -71.56 -14.9 62.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -86.01 -55.61 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.78 HD11 HG23 ' A' ' 31' ' ' VAL . 22.0 pt -54.74 -25.08 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -56.87 142.08 42.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.14 -174.74 15.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.4 124.29 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.811 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.4 m95 -109.4 -177.68 3.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -162.79 144.4 10.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 99.53 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.725 HG21 HD12 ' A' ' 145' ' ' LEU . 8.0 mm -67.2 -67.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.571 HD13 ' O ' ' A' ' 41' ' ' ILE . 31.0 mm -139.53 145.81 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.716 HD12 ' HA2' ' A' ' 137' ' ' GLY . 4.5 tp -118.26 119.82 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -123.64 129.79 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.424 ' HB3' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -165.3 144.21 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.1 p30 -67.94 81.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.1 71.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.808 ' HD2' HD11 ' A' ' 168' ' ' ILE . 3.1 mmm180 -54.09 -30.57 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -72.96 -7.54 51.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.97 -50.41 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.792 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -92.89 40.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.828 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.63 -173.18 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.56 119.97 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 67.86 29.55 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.24 -163.52 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.7 -22.45 8.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -108.47 -14.82 14.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.92 60.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.677 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -116.89 149.57 39.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.5 159.54 33.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 38' ' ' TRP . 42.9 tp -103.09 151.76 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.64 -171.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -80.82 108.21 14.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.811 HD12 ' CD1' ' A' ' 38' ' ' TRP . 16.4 mt -66.17 140.26 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -105.87 126.72 52.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.1 t -86.12 118.19 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 67' ' ' LEU . 2.8 mm? -104.17 -175.54 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -48.02 -53.95 14.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -140.53 6.85 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.0 m -125.6 -179.65 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -147.23 121.78 9.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.465 HG23 HD21 ' A' ' 67' ' ' LEU . 84.5 t -89.08 115.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.738 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.2 pt? -115.4 134.44 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.66 152.85 33.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.738 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 72.4 m-85 -129.92 -173.38 3.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -143.01 122.27 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.677 ' CG2' HD23 ' A' ' 59' ' ' LEU . 2.1 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.88 0.372 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -104.32 178.56 4.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 p -141.71 116.12 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.6 mmt -125.2 164.98 19.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 89' ' ' VAL . 5.2 p -150.28 119.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.9 110.61 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.82 152.1 23.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -62.2 167.29 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.3 p -150.71 -179.81 7.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -78.21 -6.19 54.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -75.75 178.0 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.99 116.9 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.45 22.12 50.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.403 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.706 ' HA ' HG22 ' A' ' 110' ' ' THR . 8.0 tt0 -127.08 103.37 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -82.52 159.96 22.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.5 t -119.24 124.17 46.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.4 p -115.32 128.09 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.3 m -64.5 92.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.41 172.87 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.59 -27.46 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.01 164.18 27.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.523 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -49.73 120.95 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.686 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -158.27 169.93 23.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.97 126.9 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.832 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.6 t80 -99.41 131.04 45.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.706 HG22 ' HA ' ' A' ' 98' ' ' GLU . 12.4 p -136.89 175.15 9.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 121' ' ' MET . 47.7 mt -139.0 96.61 9.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.75 -48.66 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.22 . . . . 0.0 112.365 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.98 109.19 15.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.0 t -104.57 89.1 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.52 50.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.51 -33.36 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -47.33 -45.56 24.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.776 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -121.87 -69.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.542 ' CD1' HG23 ' A' ' 149' ' ' ILE . 26.2 p90 -133.72 131.0 38.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 114' ' ' THR . 21.0 tp -92.7 150.75 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.672 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.8 ttt -126.8 136.45 52.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.72 140.73 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.561 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.5 t-160 -126.7 112.41 15.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.832 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.8 tt -122.36 139.33 53.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.561 HD11 ' CE1' ' A' ' 123' ' ' HIS . 19.6 mt -125.62 131.63 71.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -121.8 133.67 54.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -120.55 99.72 6.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -137.41 156.43 48.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 60.47 28.06 17.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.25 6.21 68.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -129.32 151.19 50.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.982 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.6 t -141.98 160.11 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -150.96 152.73 33.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -89.75 108.25 19.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 136' ' ' MET . 3.3 tm? -97.12 139.64 32.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.656 ' N ' HD13 ' A' ' 135' ' ' LEU . 4.7 ttm -144.81 114.19 7.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.716 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -105.44 109.55 3.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.667 HD22 ' HB2' ' A' ' 153' ' ' PHE . 7.0 tp -80.56 120.58 24.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.478 ' CE1' HD22 ' A' ' 61' ' ' LEU . 17.7 m-85 -112.89 156.2 23.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -144.97 151.27 23.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -53.52 -24.01 12.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.8 OUTLIER -116.66 164.35 18.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 110.873 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.5 Cg_endo -69.79 -4.5 14.18 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.289 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -149.23 146.36 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.725 HD12 HG21 ' A' ' 41' ' ' ILE . 17.3 mt -112.83 149.3 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.2 t -76.07 163.25 27.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.6 m -62.71 -15.89 54.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.53 -32.77 28.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.553 HG22 HD13 ' A' ' 145' ' ' LEU . 87.8 mt -91.0 -48.24 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -53.3 -31.28 43.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.56 -32.06 69.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -58.55 -35.34 72.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.667 ' HB2' HD22 ' A' ' 138' ' ' LEU . 14.8 t80 -70.35 -28.33 65.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.75 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -77.21 -18.01 58.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -80.21 -25.98 39.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 53.1 tp -91.12 -37.76 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 11.9 p -51.76 -35.27 43.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -72.04 -33.89 68.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.05 -14.76 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -102.01 7.83 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.19 -10.21 69.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 60.3 mt -82.12 99.35 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.183 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.71 148.76 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.75 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 8.5 tpt180 -59.61 -21.58 60.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.684 ' HB2' HD12 ' A' ' 163' ' ' LEU . 1.9 mm-40 -75.9 -21.5 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.411 ' O ' HD12 ' A' ' 168' ' ' ILE . 55.9 m-20 -78.11 -4.47 47.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.5 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.5 mp -75.66 117.14 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.808 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -107.09 126.02 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.546 ' HA ' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -77.39 129.64 36.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.658 ' O ' HG22 ' A' ' 114' ' ' THR . . . -166.09 -179.53 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -130.95 160.02 35.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -68.39 -12.01 60.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p -55.78 -22.79 26.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.179 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.42 40.0 1.42 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.55 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 5.4 ttm180 -124.47 99.8 6.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.3 38.96 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CD2' HG21 ' A' ' 114' ' ' THR . 24.2 t80 -95.58 132.31 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -122.75 96.56 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.949 HG23 HD11 ' A' ' 34' ' ' ILE . 7.4 p -76.43 -16.1 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -66.23 -18.18 65.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -85.23 -57.37 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.949 HD11 HG23 ' A' ' 31' ' ' VAL . 30.0 pt -53.52 -26.28 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -55.34 148.57 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.76 -171.27 14.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.56 120.07 11.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.822 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.7 m95 -101.42 -177.06 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -162.19 142.72 10.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 99.11 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.774 HG21 HD12 ' A' ' 145' ' ' LEU . 11.5 mm -66.87 -68.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.613 HG12 HG22 ' A' ' 41' ' ' ILE . 27.2 mm -141.06 148.07 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.658 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.3 tp -119.11 127.82 53.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.696 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -136.05 129.61 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.425 ' HB2' ' HA ' ' A' ' 135' ' ' LEU . 33.1 t -171.41 149.6 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 21.4 t0 -69.65 81.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.525 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 169.19 65.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.591 ' HD2' HD11 ' A' ' 168' ' ' ILE . 7.4 mmm180 -43.01 -48.1 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -51.89 -38.99 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -47.59 70.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.625 ' CG2' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -108.83 51.64 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.075 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -176.54 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -52.21 -30.32 26.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -131.39 65.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.96 -165.09 19.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -119.1 -30.62 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -86.92 -14.18 42.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HG2' HD11 ' A' ' 170' ' ' LEU . 0.1 OUTLIER -77.71 59.52 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -118.53 153.59 33.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -73.5 147.22 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 139' ' ' TYR . 29.6 tp -94.16 150.41 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.54 -171.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -78.71 126.48 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.822 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.7 mt -79.75 139.07 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -104.2 99.39 9.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.562 HG22 HG22 ' A' ' 31' ' ' VAL . 86.4 t -63.29 121.31 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.504 HD11 HG23 ' A' ' 72' ' ' VAL . 11.0 mt -109.78 -168.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -52.88 -53.08 54.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -134.75 -20.12 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 m -108.23 -179.11 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -153.87 127.23 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.504 HG23 HD11 ' A' ' 67' ' ' LEU . 48.0 t -82.74 148.08 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.041 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.747 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -144.11 137.23 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -117.75 151.87 36.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.747 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 71.6 m-85 -129.52 170.22 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -118.17 128.35 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.568 ' CG2' HD23 ' A' ' 59' ' ' LEU . 36.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.875 0.369 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.531 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -105.52 177.53 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.5 p -130.12 135.87 48.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.442 ' CE ' HD12 ' A' ' 86' ' ' LEU . 15.2 mmt -138.16 157.26 46.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.4 p -149.94 113.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.699 ' HB1' ' CB ' ' A' ' 99' ' ' TYR . . . -88.4 100.87 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -93.86 141.77 28.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.8 163.53 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.537 HG21 ' HB3' ' A' ' 100' ' ' SER . 39.7 p -148.54 179.87 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.06 -18.21 59.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -61.0 -171.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.06 99.73 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.3 25.77 67.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -118.08 117.15 28.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.699 ' CB ' ' HB1' ' A' ' 90' ' ' ALA . 94.5 m-85 -79.78 170.34 16.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.537 ' HB3' HG21 ' A' ' 93' ' ' THR . 16.2 p -126.1 94.61 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.92 148.68 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.4 m -99.99 93.19 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.93 173.05 6.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -48.39 -29.37 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.64 -91.54 1.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -160.22 133.27 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.39 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.718 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.94 166.9 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.0 128.52 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.739 ' HB2' HD12 ' A' ' 124' ' ' LEU . 5.2 t80 -98.37 141.75 30.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.7 p -146.12 177.84 8.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 112' ' ' PRO . 73.1 mt -141.04 91.04 9.08 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.8 Cg_endo -69.79 -48.45 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -117.64 108.48 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.672 ' HA ' HD12 ' A' ' 120' ' ' LEU . 2.2 t -104.35 89.62 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.85 50.82 0.99 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -44.45 -34.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.45 -42.29 54.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -120.46 -70.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.604 ' CD2' HG23 ' A' ' 149' ' ' ILE . 29.4 p90 -139.23 132.44 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.3 tp -92.97 147.45 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 47.5 mmm -125.48 137.35 53.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -135.96 141.07 44.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.51 ' CE1' HD11 ' A' ' 125' ' ' ILE . 7.7 t-160 -125.2 103.9 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.739 HD12 ' HB2' ' A' ' 109' ' ' PHE . 2.8 tt -114.17 130.53 56.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.51 HD11 ' CE1' ' A' ' 123' ' ' HIS . 54.3 mt -112.64 140.31 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -129.69 126.0 37.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.94 108.0 15.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -157.5 157.47 33.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.9 t70 65.43 27.75 11.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.09 10.4 73.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -139.43 148.66 43.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -138.84 159.98 40.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.7 159.44 38.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.406 ' HA ' HG12 ' A' ' 125' ' ' ILE . 8.1 pt20 -104.34 106.72 17.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.674 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -90.15 139.86 30.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.674 ' N ' HD13 ' A' ' 135' ' ' LEU . 17.4 mtt -135.6 108.84 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.658 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -99.88 117.56 5.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.3 tt -79.56 125.14 29.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.596 ' N ' HD23 ' A' ' 138' ' ' LEU . 15.1 m-85 -119.01 149.86 40.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -147.81 153.89 25.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -50.74 -30.25 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.7 OUTLIER -111.14 161.37 25.39 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.9 Cg_endo -69.75 -6.08 17.74 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.35 139.12 26.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.774 HD12 HG21 ' A' ' 41' ' ' ILE . 17.8 mt -109.17 147.0 33.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.4 t -69.78 179.97 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.9 m -81.47 -6.64 59.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.26 -31.49 16.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 119' ' ' PHE . 92.6 mt -90.42 -44.37 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -53.79 -30.91 46.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.07 -30.37 63.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -61.55 -36.19 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.696 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 5.9 t80 -71.74 -41.77 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.02 -25.51 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -65.58 -51.86 56.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.25 -28.82 70.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 73.2 m -57.95 -70.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.81 -28.59 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -75.66 -21.82 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -102.38 7.89 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 97.52 -11.64 64.93 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 22.9 mt -84.28 97.86 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.917 0.389 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.67 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.81 148.76 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.668 ' HA ' HD13 ' A' ' 167' ' ' ILE . 13.5 tpt180 -58.84 -25.12 62.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.67 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.9 mt-10 -74.46 -20.35 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.438 ' O ' HD12 ' A' ' 168' ' ' ILE . 17.2 m-20 -83.18 2.09 37.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.668 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -79.12 109.6 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.591 HD11 ' HD2' ' A' ' 48' ' ' ARG . 2.1 mp -99.98 129.59 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.413 ' HA ' HD12 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -85.08 136.51 33.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.473 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.6 mm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.851 0.358 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.695 ' O ' HG22 ' A' ' 114' ' ' THR . . . -153.79 -178.87 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -128.86 156.01 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 p -68.79 -10.63 57.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p -51.44 -26.46 8.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.197 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.63 40.02 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.575 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -131.33 100.67 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 t30 63.4 41.41 7.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CD2' HG21 ' A' ' 114' ' ' THR . 25.2 t80 -99.91 143.0 30.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -130.12 95.54 3.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.708 HG23 HD11 ' A' ' 34' ' ' ILE . 9.2 p -78.93 -9.31 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.38 -11.11 59.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -89.34 -52.78 4.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.708 HD11 HG23 ' A' ' 31' ' ' VAL . 21.2 pt -55.91 -23.48 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -61.13 129.18 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.01 179.21 15.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -51.73 119.84 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.834 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.833 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.6 m95 -106.18 -178.89 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -163.03 144.17 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -95.04 99.93 11.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.707 HG21 HD12 ' A' ' 145' ' ' LEU . 6.3 mm -68.54 -68.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.699 HG23 ' HA ' ' A' ' 169' ' ' ASP . 21.7 mm -140.36 153.5 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.585 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.0 tp -119.99 133.15 55.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.481 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -137.95 131.75 31.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.496 ' OG ' HD12 ' A' ' 51' ' ' ILE . 63.6 p -170.32 147.96 3.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 17.2 t0 -68.11 80.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.589 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.19 74.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.641 ' HD2' HD11 ' A' ' 168' ' ' ILE . 8.5 mmm-85 -55.1 -28.45 52.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -75.24 -6.28 48.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -100.51 -46.81 5.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -100.58 44.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.38 -169.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.45 -56.48 6.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -100.78 58.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.93 176.3 37.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -118.25 -18.76 9.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -98.3 -19.71 17.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.41 ' HA ' HD22 ' A' ' 43' ' ' LEU . 31.8 ttp85 -76.15 67.43 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.806 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.607 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -120.34 154.05 35.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.97 155.84 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.565 HD23 ' HB3' ' A' ' 38' ' ' TRP . 44.3 tp -102.88 152.1 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.7 -172.56 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -82.08 108.35 15.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.833 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.5 mt -61.63 139.2 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.38 100.47 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.63 108.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.619 HD11 HG23 ' A' ' 72' ' ' VAL . 38.6 mt -94.68 -168.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -56.28 13.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -137.73 7.83 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.54 ' HB2' HD12 ' A' ' 67' ' ' LEU . 2.3 m -126.99 -178.94 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -149.04 118.77 7.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.619 HG23 HD11 ' A' ' 67' ' ' LEU . 58.1 t -86.0 119.49 34.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.767 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -119.66 135.39 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.83 153.04 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.767 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 86.9 m-85 -132.21 169.16 16.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -124.17 128.36 49.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.607 ' CG2' HD23 ' A' ' 59' ' ' LEU . 19.8 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.555 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -99.92 178.94 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 p -139.49 123.39 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.555 ' CE ' HD12 ' A' ' 86' ' ' LEU . 16.5 mmt -128.83 158.99 37.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 72' ' ' VAL . 83.4 t -147.37 115.81 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.74 117.07 25.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -105.66 162.01 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -71.65 164.56 25.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.586 HG21 ' HB3' ' A' ' 100' ' ' SER . 48.6 p -150.81 -179.62 7.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -82.47 0.67 41.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -174.17 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.78 99.1 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.38 14.36 53.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.533 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.696 ' HA ' HG22 ' A' ' 110' ' ' THR . 7.5 tt0 -109.75 107.51 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.515 ' CE2' HD21 ' A' ' 71' ' ' LEU . 6.2 m-85 -80.02 160.82 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.586 ' HB3' HG21 ' A' ' 93' ' ' THR . 89.5 p -120.43 116.32 25.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.804 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.94 135.4 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.5 m -73.0 92.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.08 172.67 6.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -49.35 -26.87 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.96 163.09 28.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.552 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -49.84 119.19 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.674 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -156.86 165.5 36.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.39 126.74 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.835 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.6 t80 -98.71 129.42 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.696 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.2 p -135.71 175.82 9.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 121' ' ' MET . 58.6 mt -140.88 92.71 8.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.702 . . . . 0.0 111.147 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.7 Cg_endo -69.72 -48.86 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.04 108.8 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.2 t -107.07 88.63 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.74 49.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -43.94 -31.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -44.59 -49.54 10.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -123.14 -64.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.527 ' CD2' HG23 ' A' ' 149' ' ' ILE . 28.4 p90 -132.21 130.34 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 114' ' ' THR . 17.5 tp -93.27 147.98 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.592 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.5 mtm -126.2 137.98 53.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.418 ' HB1' ' HE1' ' A' ' 109' ' ' PHE . . . -134.9 160.12 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.606 ' CE1' HD11 ' A' ' 125' ' ' ILE . 13.4 t-160 -142.65 109.3 5.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.835 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.1 tt -120.8 132.82 55.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.606 HD11 ' CE1' ' A' ' 123' ' ' HIS . 25.4 mt -118.76 131.98 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -122.96 128.68 50.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -115.45 99.19 7.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -138.47 154.92 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 63.36 23.25 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.69 1.35 83.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -125.02 149.51 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.61 159.79 41.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.174 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -153.33 157.44 40.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -95.49 109.65 21.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -95.78 140.28 30.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' MET . . . . . 0.675 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -143.08 112.23 6.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.585 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -104.03 112.35 4.12 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.406 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 139' ' ' TYR . 9.0 tp -79.76 132.79 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.559 ' N ' HD12 ' A' ' 138' ' ' LEU . 17.1 m-85 -127.19 157.22 40.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -148.99 152.97 24.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.462 ' HG2' ' HG2' ' A' ' 142' ' ' GLU . 0.1 OUTLIER -55.97 -23.77 34.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.462 ' HG2' ' HG2' ' A' ' 141' ' ' ARG . 0.8 OUTLIER -106.93 162.63 19.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.3 Cg_endo -69.81 -4.78 14.75 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -159.03 147.84 18.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.707 HD12 HG21 ' A' ' 41' ' ' ILE . 46.7 mt -108.98 157.82 18.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.0 t -85.86 -179.6 6.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.3 t -77.03 -4.7 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.7 -36.8 14.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 119' ' ' PHE . 91.7 mt -91.09 -43.32 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -27.75 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.95 -30.86 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -60.24 -31.09 69.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.542 ' HB2' HD22 ' A' ' 138' ' ' LEU . 18.5 t80 -68.9 -37.35 78.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ALA . . . . . 0.53 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -65.91 -36.46 83.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -50.59 -31.07 14.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.463 HD22 ' SD ' ' A' ' 121' ' ' MET . 4.5 tp -91.98 -26.48 18.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.6 -37.92 89.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.61 -25.65 57.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -79.15 -33.15 44.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -84.17 0.31 49.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 98.92 -20.36 50.64 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 47.9 mt -67.13 96.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.088 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -47.22 147.7 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.53 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 1.1 mmm180 -61.25 -18.94 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.642 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.7 mm-40 -79.42 -13.43 59.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ASN . . . . . 0.443 ' O ' HD12 ' A' ' 168' ' ' ILE . 8.3 m-20 -85.9 -9.29 57.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' ILE . . . . . 0.481 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.4 mp -74.01 113.74 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' ILE . . . . . 0.641 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.5 mp -105.87 111.87 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.699 ' HA ' HG23 ' A' ' 42' ' ' ILE . 15.0 m-20 -84.76 116.66 23.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.3 ptp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.47 126.1 1.1 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t -140.04 -179.99 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 t -160.21 160.64 32.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -139.19 -175.6 4.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -133.78 174.68 10.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -103.15 -173.31 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -137.47 -179.69 5.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -124.95 175.86 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -129.36 174.47 9.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.9 mm -118.82 146.51 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.39 -25.14 12.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.03 175.02 14.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.524 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.86 115.12 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -137.59 147.65 45.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.64 179.72 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.587 ' O ' HG22 ' A' ' 114' ' ' THR . . . -164.2 -179.48 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.126 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -136.49 166.61 23.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -72.78 -8.06 53.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.8 p -54.25 -25.11 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.31 39.88 1.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -128.16 99.9 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.6 t30 55.92 48.51 17.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CD2' HG21 ' A' ' 114' ' ' THR . 39.2 t80 -99.15 135.07 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -123.83 110.57 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.824 HG23 HD11 ' A' ' 34' ' ' ILE . 7.1 p -90.17 -13.71 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -70.62 -14.16 62.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -87.52 -55.45 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.824 HD11 HG23 ' A' ' 31' ' ' VAL . 24.1 pt -54.58 -25.14 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -58.5 127.3 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.31 -175.64 19.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.65 119.99 7.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.796 0.332 . . . . 0.0 110.926 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.768 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.7 m95 -108.24 176.75 5.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -163.05 146.96 11.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.44 102.54 14.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.629 HG21 HD12 ' A' ' 145' ' ' LEU . 6.8 mm -70.39 -67.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.604 HD13 ' O ' ' A' ' 41' ' ' ILE . 27.4 mm -136.86 144.34 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -113.41 119.15 36.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.567 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -125.83 130.0 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.601 ' HB2' HD22 ' A' ' 135' ' ' LEU . 36.5 t -168.65 146.84 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 9.1 p30 -68.69 81.41 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.519 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.52 71.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.825 ' HD2' HD11 ' A' ' 168' ' ' ILE . 4.1 mmm180 -54.67 -30.3 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -73.71 -6.43 46.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.67 -49.85 4.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.808 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -94.87 40.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -173.93 2.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -51.01 118.66 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 60.06 41.93 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.3 -144.96 0.26 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -124.55 -36.7 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -94.66 -7.7 40.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -74.78 72.65 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.629 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -127.83 155.75 43.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.45 156.78 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 38' ' ' TRP . 44.2 tp -102.8 150.67 23.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.97 -172.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -80.85 108.0 14.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.768 HD12 ' CD1' ' A' ' 38' ' ' TRP . 3.8 mt -62.44 139.89 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -106.33 99.42 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.505 HG22 HG22 ' A' ' 31' ' ' VAL . 84.8 t -64.22 127.15 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 72' ' ' VAL . 13.9 mt -115.15 -167.37 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.17 -53.59 51.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.81 -20.51 2.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.422 ' HB2' HD12 ' A' ' 67' ' ' LEU . 9.3 m -108.15 -179.29 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.84 124.18 6.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.443 HG23 HD11 ' A' ' 67' ' ' LEU . 51.2 t -79.76 146.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.522 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -149.35 135.54 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -117.57 152.69 34.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.554 ' HB3' HD22 ' A' ' 59' ' ' LEU . 93.6 m-85 -129.96 171.09 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -116.58 112.32 21.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.629 ' CG2' HD23 ' A' ' 59' ' ' LEU . 69.7 p -131.56 139.29 49.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 m -91.25 160.59 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -150.34 122.68 8.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 59.61 46.31 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 59.57 36.46 22.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.979 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -142.4 125.18 15.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 63.9 m -54.33 147.84 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.86 -179.92 4.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.06 147.46 22.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -111.29 174.83 5.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.8 p -124.42 132.2 53.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -132.94 168.78 17.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.6 t -150.29 100.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.19 117.59 20.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -114.14 178.7 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -90.28 169.7 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 100' ' ' SER . 47.9 p -151.45 179.93 7.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.174 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.66 -19.77 65.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -58.54 -177.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.14 104.05 12.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.22 30.65 78.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 110' ' ' THR . 7.7 tt0 -126.86 109.83 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 110.958 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -80.63 159.48 25.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.531 ' HB3' HG21 ' A' ' 93' ' ' THR . 76.6 p -119.36 115.53 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.51 135.76 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.6 m -72.97 92.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.84 172.7 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -48.62 -28.15 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.77 164.27 27.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -49.74 118.85 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.669 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -155.54 169.45 24.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.55 125.41 16.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.847 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.3 t80 -99.11 128.14 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 98' ' ' GLU . 5.3 p -135.23 -179.92 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 121' ' ' MET . 21.8 mt -139.21 95.5 9.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.069 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -48.87 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.748 2.299 . . . . 0.0 112.353 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.402 ' HE3' HD12 ' A' ' 156' ' ' LEU . 0.1 OUTLIER -118.25 108.38 15.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.638 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -107.02 89.62 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.2 52.85 0.78 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.65 -32.92 1.63 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.28 -43.77 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -120.59 -70.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.603 ' CD2' HG23 ' A' ' 149' ' ' ILE . 24.6 p90 -136.69 133.5 36.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 114' ' ' THR . 23.4 tp -91.65 150.71 21.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.564 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.4 mtm -132.09 136.12 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -131.37 152.31 50.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.582 ' CE1' HD11 ' A' ' 125' ' ' ILE . 12.6 t-160 -134.14 111.97 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.847 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.0 tt -122.18 138.54 54.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.582 HD11 ' CE1' ' A' ' 123' ' ' HIS . 20.5 mt -126.88 130.88 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -121.69 127.06 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -114.55 100.09 8.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.45 153.64 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 61.26 33.37 19.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.99 11.51 58.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -133.85 146.44 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -138.42 160.09 40.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.28 151.18 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -91.32 107.67 19.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.696 HD13 ' N ' ' A' ' 136' ' ' MET . 3.1 tm? -97.82 139.84 33.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.696 ' N ' HD13 ' A' ' 135' ' ' LEU . 20.0 mtp -144.06 115.34 7.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -105.56 111.94 3.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 139' ' ' TYR . 6.6 tp -79.67 128.32 33.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.495 ' N ' HD12 ' A' ' 138' ' ' LEU . 19.3 m-85 -120.94 159.04 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.59 152.82 24.44 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -50.77 -30.04 13.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.6 OUTLIER -109.33 161.74 22.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.848 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.8 Cg_endo -69.74 -6.84 19.54 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -147.46 141.2 25.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.629 HD12 HG21 ' A' ' 41' ' ' ILE . 25.6 mt -108.81 144.99 35.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.8 t -68.67 -179.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.5 m -80.36 -6.97 58.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -31.21 17.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.603 HG23 ' CD2' ' A' ' 119' ' ' PHE . 91.9 mt -90.88 -45.04 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -56.0 -27.96 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -74.97 -30.27 61.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -57.56 -45.7 84.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 44' ' ' ALA . 9.3 t80 -63.43 -38.85 92.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.591 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -60.78 -18.27 54.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -80.79 -26.56 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.631 ' O ' HD23 ' A' ' 156' ' ' LEU . 3.6 tt -90.72 -35.88 14.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 11.1 p -54.25 -34.39 60.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -73.04 -25.65 61.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.83 -31.01 56.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -87.27 5.54 37.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.28 -10.64 73.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 29.5 mt -77.96 99.49 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.782 0.325 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.16 148.65 2.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.591 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 0.1 OUTLIER -60.43 -21.54 62.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.683 ' HB2' HD12 ' A' ' 163' ' ' LEU . 5.1 mm-40 -75.93 -25.16 55.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.553 ' O ' HD12 ' A' ' 168' ' ' ILE . 35.0 m-20 -72.55 -9.41 58.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.567 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.6 mp -72.32 118.4 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.825 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -106.1 126.52 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.481 ' HA ' HD12 ' A' ' 42' ' ' ILE . 1.7 p30 -78.86 132.37 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.65 -31.42 9.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 18.7 p -57.23 -23.73 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.81 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -99.27 -24.97 14.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -104.17 113.23 26.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.013 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -149.46 120.27 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -172.72 161.26 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 7.7 t -127.5 32.1 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 78.1 mt -150.78 160.95 43.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -111.46 46.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -86.12 137.11 32.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.68 173.58 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.1 ttm . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.802 0.335 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.71 148.34 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.54 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -121.44 178.56 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.802 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.2 m 59.35 42.78 17.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 179.84 4.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.5 t60 62.59 50.5 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -58.81 175.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.801 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -131.17 -175.25 3.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -124.87 157.77 35.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -158.19 145.03 17.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -132.29 150.41 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -132.76 -176.11 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.34 150.34 46.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -147.54 178.14 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.39 169.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -179.96 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.573 ' O ' HG22 ' A' ' 114' ' ' THR . . . -161.66 -179.34 7.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 p -133.31 156.36 47.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 p -69.71 -10.74 59.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.4 p -53.92 -24.28 15.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.59 40.09 1.38 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -129.12 99.93 5.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 t30 59.68 43.79 15.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CD2' HG21 ' A' ' 114' ' ' THR . 30.1 t80 -97.86 142.36 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.05 95.99 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.844 HG23 HD11 ' A' ' 34' ' ' ILE . 7.3 p -77.78 -12.17 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.23 -22.3 62.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -79.24 -53.6 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.844 HD11 HG23 ' A' ' 31' ' ' VAL . 22.5 pt -58.86 -20.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -63.14 125.85 25.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.83 -177.3 18.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -56.02 119.74 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.814 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.1 m95 -105.58 -178.66 3.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -162.5 148.2 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.0 m -93.53 99.51 11.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.852 HG21 HD12 ' A' ' 145' ' ' LEU . 10.6 mm -68.88 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.667 HG12 HG22 ' A' ' 41' ' ' ILE . 22.0 mm -139.17 150.49 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.674 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.7 tp -122.03 111.85 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.617 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -119.27 130.44 55.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.052 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.509 ' OG ' HD12 ' A' ' 51' ' ' ILE . 37.1 p -168.88 149.68 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.1 p30 -68.88 80.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.596 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.48 73.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.749 ' HD2' HD11 ' A' ' 168' ' ' ILE . 0.9 OUTLIER -55.29 -28.3 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.889 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.07 -5.59 47.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 -47.33 4.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.611 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -100.53 44.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -170.4 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -48.87 -58.72 4.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -96.06 40.28 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.1 176.36 37.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -117.95 -16.34 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -101.51 -13.44 17.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.463 ' HE ' HD13 ' A' ' 170' ' ' LEU . 0.0 OUTLIER -74.2 72.34 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.681 HD22 ' CB ' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -117.75 157.27 26.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -86.22 126.94 34.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.468 HD12 ' H ' ' A' ' 62' ' ' GLU . 44.7 tp -73.4 152.27 40.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -109.45 -171.54 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -81.4 107.8 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.814 HD12 ' CD1' ' A' ' 38' ' ' TRP . 6.4 mt -62.84 138.22 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -108.59 101.76 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.432 HG22 HG22 ' A' ' 31' ' ' VAL . 98.7 t -63.99 109.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.639 HD11 HG23 ' A' ' 72' ' ' VAL . 36.3 mt -99.23 -167.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -58.58 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.66 10.94 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -131.05 -179.8 5.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.507 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -147.96 127.01 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.639 HG23 HD11 ' A' ' 67' ' ' LEU . 97.5 t -90.93 113.64 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.575 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.3 pt? -122.75 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -111.9 152.18 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.681 ' CB ' HD22 ' A' ' 59' ' ' LEU . 18.6 m-85 -121.79 167.8 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -120.25 106.61 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.803 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.653 ' CG2' HD23 ' A' ' 59' ' ' LEU . 61.2 p -122.79 147.05 46.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -104.4 161.15 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -148.94 121.41 8.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 59.06 45.78 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 59.86 36.16 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -130.42 140.13 50.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 32.9 m -73.35 132.51 43.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 t -157.07 175.71 13.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -160.27 144.91 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.604 HD12 ' SD ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -109.76 179.97 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -132.01 122.98 26.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.604 ' SD ' HD12 ' A' ' 86' ' ' LEU . 2.6 mmt -123.65 164.21 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 66.1 t -149.27 109.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.44 109.66 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.44 147.54 26.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -52.6 170.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.5 p -143.8 -179.6 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.46 -21.52 65.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -85.08 172.03 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.16 98.95 8.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.66 -24.63 13.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.542 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.69 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.5 tt0 -91.84 107.99 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.507 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.2 m-85 -89.09 159.0 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.3 p -121.3 118.36 29.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.0 p -108.94 129.94 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.5 m -64.99 91.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.31 172.18 6.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -50.77 -26.31 5.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.53 162.28 27.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -50.18 119.36 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.604 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -154.65 168.29 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.79 123.47 15.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.842 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.2 t80 -99.84 129.98 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.69 HG22 ' HA ' ' A' ' 98' ' ' GLU . 8.9 p -135.2 174.88 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.19 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 121' ' ' MET . 30.2 mt -136.81 90.29 16.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 111.162 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.1 Cg_endo -69.76 -49.08 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.743 2.295 . . . . 0.0 112.279 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.71 108.51 17.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.674 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.7 t -110.66 89.75 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.76 52.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -44.13 -33.11 1.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -49.44 -44.36 45.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -120.99 -69.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.576 ' CD2' HG23 ' A' ' 149' ' ' ILE . 23.6 p90 -136.39 132.73 35.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 114' ' ' THR . 16.1 tp -92.03 147.37 23.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.8 mtm -127.62 140.78 51.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.88 152.12 51.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -132.79 114.7 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.842 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.1 tt -124.91 151.98 44.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.9 mt -141.16 125.51 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -117.81 125.76 51.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -112.06 100.47 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -138.67 157.04 46.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 60.18 28.68 18.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.67 6.69 67.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -130.06 153.11 48.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.966 0.412 . . . . 0.0 110.826 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -142.91 158.12 43.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.196 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.4 ' HE2' HD23 ' A' ' 135' ' ' LEU . 3.1 p90 -150.2 152.44 34.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -91.38 109.1 20.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -97.15 139.91 32.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.665 ' N ' HD13 ' A' ' 135' ' ' LEU . 27.6 mtp -143.03 115.46 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.674 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -105.09 116.02 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.57 127.6 32.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.623 ' N ' HD23 ' A' ' 138' ' ' LEU . 16.9 m-85 -121.46 148.1 44.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.15 151.96 24.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -50.84 -31.17 16.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.2 mt-10 -108.06 161.44 23.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.4 Cg_endo -69.77 -6.45 18.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -147.25 139.43 24.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.852 HD12 HG21 ' A' ' 41' ' ' ILE . 18.1 mt -108.98 147.39 32.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.1 t -70.52 177.62 3.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.0 m -79.49 -5.11 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -90.6 -31.72 16.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 119' ' ' PHE . 84.7 mt -90.66 -44.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -53.92 -30.32 45.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.43 -30.32 63.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -62.37 -37.71 86.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.617 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 9.5 t80 -71.05 -37.48 72.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.44 -21.86 62.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.93 -52.93 37.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.542 HD23 ' CE ' ' A' ' 136' ' ' MET . 9.8 tp -63.92 -26.02 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.85 -70.22 0.19 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.54 -27.39 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.11 -28.99 63.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -93.42 -4.26 51.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 107.66 3.55 34.7 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 45' ' ' SER . 45.6 mt -98.18 96.39 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.38 159.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.768 ' HA ' HD13 ' A' ' 167' ' ' ILE . 3.5 tpp85 -66.79 -29.76 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.635 ' HB2' HD12 ' A' ' 163' ' ' LEU . 19.0 mt-10 -66.82 -13.68 61.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.488 ' O ' HD12 ' A' ' 168' ' ' ILE . 52.1 m-20 -89.37 -8.43 53.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.768 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -74.15 109.38 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.749 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.6 mp -100.13 109.41 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 42' ' ' ILE . 2.2 p30 -87.5 125.64 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.463 HD13 ' HE ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -132.54 23.3 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 5.3 m -55.68 -28.79 57.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -99.57 26.05 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -142.26 110.15 5.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -140.52 31.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 23.7 mtp85 -112.73 171.78 7.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 46.6 m -73.01 -49.9 26.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 36.7 mt -107.61 -173.16 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -119.15 142.76 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -74.22 169.18 18.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -122.89 150.94 42.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.14 115.02 0.63 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -94.4 169.66 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.816 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.6 m -93.62 156.37 16.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -155.84 176.11 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -109.24 108.62 19.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -147.63 -176.03 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -56.32 177.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -153.52 116.84 4.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -173.15 165.46 4.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.505 ' H ' HD12 ' A' ' 16' ' ' ILE . 3.9 mp -88.06 144.24 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -123.45 -36.02 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.7 -132.72 1.42 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.476 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -97.22 130.93 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -139.45 170.1 16.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.13 179.42 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.579 ' O ' HG22 ' A' ' 114' ' ' THR . . . -170.29 -179.34 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -137.5 164.19 29.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 p -69.85 -9.97 56.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 p -53.08 -25.99 14.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 40.26 1.37 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -133.72 102.1 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.12 39.22 10.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.621 ' CD2' HG21 ' A' ' 114' ' ' THR . 31.2 t80 -98.56 131.97 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -125.48 96.4 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.922 HG23 HD11 ' A' ' 34' ' ' ILE . 8.8 p -75.23 -15.68 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.4 -18.58 65.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -83.9 -53.75 5.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.922 HD11 HG23 ' A' ' 31' ' ' VAL . 34.2 pt -58.14 -21.19 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -60.79 125.54 24.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.18 177.7 15.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -51.18 119.64 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.925 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.844 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.6 m95 -105.15 178.89 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -162.64 144.5 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.823 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.76 99.84 12.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.614 HG21 HD12 ' A' ' 145' ' ' LEU . 7.6 mm -67.49 -66.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.63 HG23 ' HA ' ' A' ' 169' ' ' ASP . 23.8 mm -140.14 144.14 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.697 HD12 ' HA2' ' A' ' 137' ' ' GLY . 5.1 tp -114.66 137.75 51.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -141.95 129.88 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.515 ' OG ' HD12 ' A' ' 51' ' ' ILE . 94.5 p -164.26 147.72 9.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 44.7 t0 -68.66 79.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.594 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.5 77.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.724 ' HD2' HD11 ' A' ' 168' ' ' ILE . 15.2 mmm-85 -55.25 -27.72 48.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -75.89 -5.67 47.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 -44.4 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.706 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -104.31 46.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.1 -171.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -49.13 -52.18 27.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -105.74 56.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.26 178.93 38.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -116.83 -20.56 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.616 ' CD2' HD13 ' A' ' 135' ' ' LEU . 3.4 m-85 -91.02 -12.33 36.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.73 ' HG2' HD11 ' A' ' 170' ' ' LEU . 7.7 tmm_? -72.82 77.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.59 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -124.87 154.62 40.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.17 131.15 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 62' ' ' GLU . 41.9 tp -72.06 152.06 42.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' H ' HD12 ' A' ' 61' ' ' LEU . 44.0 mm-40 -109.03 -173.29 2.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -80.54 107.86 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.844 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.4 mt -62.99 138.23 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -108.28 101.2 10.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.553 HG22 HG22 ' A' ' 31' ' ' VAL . 81.8 t -62.51 116.24 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.534 HD11 HG23 ' A' ' 72' ' ' VAL . 54.7 mt -107.47 -167.78 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.57 -55.35 11.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -144.23 13.31 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 m -132.52 179.6 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' HB2' HG23 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -148.99 122.51 9.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.534 HG23 HD11 ' A' ' 67' ' ' LEU . 59.6 t -86.6 112.69 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.3 pt? -121.5 131.7 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -111.92 151.23 29.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.55 ' CB ' HD22 ' A' ' 59' ' ' LEU . 18.0 m-85 -120.17 161.96 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -112.1 104.21 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.59 ' CG2' HD23 ' A' ' 59' ' ' LEU . 59.5 p -118.96 153.69 34.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.52 122.94 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -111.36 121.17 44.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 63.86 44.42 4.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 59.41 24.32 12.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.41 140.36 48.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.3 m -50.06 146.81 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.73 178.72 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -160.5 143.46 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.421 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -107.64 -179.79 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.883 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -125.65 113.1 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.0 mmt -115.44 146.39 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 89' ' ' VAL . 4.1 p -137.36 116.83 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.57 112.72 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.042 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -112.09 152.72 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -56.68 163.85 1.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.579 HG21 ' HB3' ' A' ' 100' ' ' SER . 67.3 p -149.47 177.82 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -60.26 -24.09 64.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -65.71 172.71 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.08 110.15 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.64 20.2 78.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.642 ' HA ' HG22 ' A' ' 110' ' ' THR . 4.7 tt0 -126.89 105.11 8.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -79.71 169.76 17.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.579 ' HB3' HG21 ' A' ' 93' ' ' THR . 94.9 p -131.21 130.96 43.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.03 170.29 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.0 m -103.42 91.55 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.5 171.7 7.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.04 -26.22 5.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.26 169.8 26.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -50.68 121.73 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.55 170.43 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.45 138.98 21.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.878 ' HB2' HD12 ' A' ' 124' ' ' LEU . 3.7 t80 -107.26 138.03 44.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 98' ' ' GLU . 13.0 p -143.82 173.06 12.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.476 HD11 ' HZ ' ' A' ' 109' ' ' PHE . 52.8 mt -137.81 90.06 14.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.83 -48.6 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.435 ' HD2' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -113.31 108.59 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.682 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -109.69 88.67 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.83 52.39 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.65 -33.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -51.72 -41.94 61.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -120.62 -70.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 149' ' ' ILE . 47.3 p90 -138.0 132.9 32.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 114' ' ' THR . 18.0 tp -93.25 148.51 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.643 ' HE2' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -128.5 136.0 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -128.55 144.2 51.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.605 ' CE1' HD11 ' A' ' 125' ' ' ILE . 4.8 t60 -123.98 111.51 16.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.878 HD12 ' HB2' ' A' ' 109' ' ' PHE . 6.1 tt -128.31 126.99 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.605 HD11 ' CE1' ' A' ' 123' ' ' HIS . 7.8 mt -116.46 139.86 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -126.52 121.81 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -109.15 99.88 9.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -144.17 160.39 41.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.8 t0 63.45 34.13 13.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.67 18.58 64.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -148.64 160.26 43.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.1 t -145.81 159.63 42.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.512 ' HE2' HD12 ' A' ' 135' ' ' LEU . 0.7 OUTLIER -148.91 151.96 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.824 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -94.13 121.9 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.616 HD13 ' CD2' ' A' ' 57' ' ' PHE . 4.4 tt -120.6 139.21 53.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 1.6 mtm -136.99 109.35 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.697 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -90.74 113.69 4.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.643 HD13 ' HE2' ' A' ' 121' ' ' MET . 4.4 tp -82.86 130.21 35.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.578 ' N ' HD12 ' A' ' 138' ' ' LEU . 18.3 m-85 -122.95 160.04 27.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -151.78 153.12 24.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.566 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -50.73 -28.7 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.0 OUTLIER -114.12 162.37 23.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.681 0.753 . . . . 0.0 110.908 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.3 Cg_endo -69.65 -5.94 17.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.41 138.78 29.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.614 HD12 HG21 ' A' ' 41' ' ' ILE . 20.8 mt -108.87 145.43 35.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.8 t -66.97 167.9 10.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.447 ' HA ' ' HG2' ' A' ' 150' ' ' LYS . 7.9 t -71.85 -9.7 58.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -25.67 20.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.623 HG23 ' CD2' ' A' ' 119' ' ' PHE . 75.4 mt -90.88 -47.23 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.447 ' HG2' ' HA ' ' A' ' 147' ' ' SER . 2.7 ptpp? -53.64 -29.86 40.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -70.2 -32.04 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -67.42 -19.83 65.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.552 ' HB2' HD22 ' A' ' 138' ' ' LEU . 9.8 t80 -80.2 -43.09 22.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.85 -25.35 56.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -65.33 -54.55 27.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.435 HD22 ' HD2' ' A' ' 113' ' ' LYS . 14.7 tp -63.06 -26.45 68.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 93.6 m -61.81 -66.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -60.33 -35.44 75.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.32 -28.12 66.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -95.23 -3.73 47.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 103.4 19.67 12.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.65 103.82 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.606 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.08 159.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.768 ' HA ' HD13 ' A' ' 167' ' ' ILE . 3.4 tpp85 -68.84 -30.22 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.606 ' HB2' HD12 ' A' ' 163' ' ' LEU . 3.0 mm-40 -67.22 -15.81 63.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -85.0 -7.22 59.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.768 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.8 mp -78.78 110.1 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.724 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.6 mp -104.86 114.3 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.63 ' HA ' HG23 ' A' ' 42' ' ' ILE . 14.6 m-20 -72.41 130.79 41.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.73 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.4 mm? -100.49 -21.0 15.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 18.3 t -51.86 -32.51 32.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -115.29 26.09 10.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' A' ' 170' ' ' LEU . . . -139.08 120.52 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -174.58 139.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -164.12 152.45 12.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 49.2 t -113.15 -28.65 7.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 4.3 pp -175.46 168.83 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -127.95 137.15 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -67.14 159.91 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.33 157.05 45.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.822 0.344 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.57 -165.75 24.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -136.03 179.39 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -112.37 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -120.04 139.59 52.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -159.14 178.74 9.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.4 m170 62.19 60.16 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -61.25 175.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -94.45 -175.14 3.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -130.69 -172.57 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.1 mm -111.68 147.97 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.6 -174.83 2.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.26 -148.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -102.61 123.23 45.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.767 0.318 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -138.88 170.03 16.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.6 -179.96 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.613 ' O ' HG22 ' A' ' 114' ' ' THR . . . -154.63 -179.32 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.97 156.78 46.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.5 p -67.74 -11.89 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -53.08 -24.73 10.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.52 40.09 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -125.67 100.06 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.2 t30 55.96 47.01 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CD2' HG21 ' A' ' 114' ' ' THR . 22.3 t80 -100.02 141.74 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -129.69 103.87 7.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.815 HG23 HD11 ' A' ' 34' ' ' ILE . 9.9 p -84.56 -11.92 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -71.63 -17.53 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -83.78 -55.56 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.815 HD11 HG23 ' A' ' 31' ' ' VAL . 22.8 pt -54.95 -25.59 16.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -54.72 148.12 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.63 -170.0 13.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -65.53 122.81 18.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.793 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.6 m95 -104.3 -176.28 3.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -162.25 141.13 9.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 m -88.78 99.64 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.856 HG21 HD12 ' A' ' 145' ' ' LEU . 15.7 mm -69.43 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.69 HG12 HG22 ' A' ' 41' ' ' ILE . 23.7 mm -139.51 149.85 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.463 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.3 tp -119.05 123.18 43.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -129.22 129.42 44.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.525 ' OG ' HD12 ' A' ' 51' ' ' ILE . 66.2 p -170.15 148.62 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 16.8 t0 -68.84 80.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.629 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.22 74.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.753 ' HD2' HD11 ' A' ' 168' ' ' ILE . 11.5 mmm-85 -54.71 -28.66 49.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -75.17 -6.04 47.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -100.58 -43.53 6.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -106.49 46.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -173.2 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -50.21 -42.26 51.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -118.85 68.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -106.41 -168.19 22.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -118.84 -28.8 5.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -90.44 -13.23 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 72.1 2.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.643 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -128.86 149.72 50.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.58 148.06 43.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.747 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.3 tp -89.5 153.59 20.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -108.86 -171.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -80.52 108.57 14.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.793 HD12 ' CD1' ' A' ' 38' ' ' TRP . 28.5 mt -71.34 140.62 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -107.82 134.73 50.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -90.66 119.33 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.767 HD21 HG23 ' A' ' 72' ' ' VAL . 2.1 mm? -109.3 -171.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -56.25 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -143.67 12.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.57 ' C ' HD23 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -125.31 -179.05 4.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.57 HD23 ' C ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -150.62 114.61 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.767 HG23 HD21 ' A' ' 67' ' ' LEU . 41.6 t -81.03 114.42 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.747 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.1 pt? -117.63 135.44 53.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -118.99 152.5 36.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.747 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 68.1 m-85 -130.36 177.54 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -131.31 129.1 41.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.643 ' CG2' HD23 ' A' ' 59' ' ' LEU . 16.9 p -150.36 152.92 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -104.61 161.02 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -149.32 125.11 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 58.39 45.52 16.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 58.62 36.21 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -139.69 128.87 23.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 27.9 m -55.14 145.41 21.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.37 -179.81 7.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -160.41 138.32 9.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.583 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.6 OUTLIER -101.26 178.95 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.3 p -140.95 117.15 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.583 ' CE ' HD12 ' A' ' 86' ' ' LEU . 23.5 mmt -121.2 165.01 16.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 89' ' ' VAL . 4.4 p -150.0 117.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.31 113.74 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.8 169.36 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -76.8 163.12 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 p -144.96 -179.96 6.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.34 -7.49 58.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -73.09 179.86 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.31 100.55 9.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.44 27.02 64.31 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.687 ' HA ' HG22 ' A' ' 110' ' ' THR . 4.7 tt0 -131.86 109.5 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -87.48 159.17 18.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t -113.58 122.88 48.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.9 p -115.81 130.66 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.5 m -69.69 92.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.41 172.64 6.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -49.52 -27.52 4.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.53 162.46 27.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -49.41 121.58 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.701 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.01 170.22 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.44 126.43 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.832 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.7 t80 -99.15 130.78 45.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.687 HG22 ' HA ' ' A' ' 98' ' ' GLU . 9.7 p -136.92 175.7 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 121' ' ' MET . 43.5 mt -138.85 94.78 9.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.676 0.75 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.1 Cg_endo -69.77 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.277 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.04 109.23 16.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.63 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.9 t -107.28 89.07 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.68 52.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.42 -33.39 2.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -50.24 -42.92 52.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -120.83 -69.01 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.568 ' CD1' HG23 ' A' ' 149' ' ' ILE . 26.3 p90 -138.62 131.76 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.4 tp -92.35 145.83 24.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.58 ' CE ' HD22 ' A' ' 156' ' ' LEU . 13.3 mtp -127.11 138.13 53.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.65 157.66 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.53 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.4 t-160 -140.2 108.49 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.832 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.5 tt -119.38 138.77 52.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.53 HD11 ' CE1' ' A' ' 123' ' ' HIS . 20.3 mt -125.68 129.41 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -119.52 133.93 55.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -120.4 99.03 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -136.86 154.9 50.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.4 t0 62.02 27.28 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.89 5.52 70.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.525 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -128.95 149.33 50.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.015 0.436 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.1 t -139.62 159.96 40.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -150.45 154.23 37.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -91.12 109.46 20.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 136' ' ' MET . 3.3 tm? -97.86 140.33 32.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.653 ' N ' HD13 ' A' ' 135' ' ' LEU . 1.5 mtp -146.17 113.94 6.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.463 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -104.81 116.33 5.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.615 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.65 126.93 31.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.615 ' N ' HD23 ' A' ' 138' ' ' LEU . 19.2 m-85 -120.44 151.4 39.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -148.71 147.86 18.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -31.65 14.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -103.16 162.71 19.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.6 Cg_endo -69.8 -6.92 19.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -150.74 149.91 30.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.856 HD12 HG21 ' A' ' 41' ' ' ILE . 21.6 mt -115.86 141.37 48.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.6 t -67.59 179.1 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.3 m -78.76 -4.14 47.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -90.29 -33.03 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.569 HG22 HD13 ' A' ' 145' ' ' LEU . 87.3 mt -91.22 -45.85 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -53.67 -29.9 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -72.73 -31.53 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -59.37 -47.64 84.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 14.2 t80 -63.6 -22.78 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.715 ' HB1' ' CD ' ' A' ' 164' ' ' ARG . . . -80.86 -16.24 54.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -79.78 -28.18 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.58 HD22 ' CE ' ' A' ' 121' ' ' MET . 1.1 tp -91.64 -34.29 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 8.8 p -49.99 -31.96 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.63 -42.03 68.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -66.43 -16.46 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -98.47 7.67 45.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.15 -9.39 69.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 13.4 mt -84.17 103.28 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 111.185 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.5 150.07 3.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.715 ' CD ' ' HB1' ' A' ' 154' ' ' ALA . 1.0 OUTLIER -61.25 -22.98 65.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.642 ' HB2' HD12 ' A' ' 163' ' ' LEU . 17.0 mt-10 -78.26 -25.03 46.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.561 ' O ' HD12 ' A' ' 168' ' ' ILE . 7.8 m-20 -69.91 -10.81 59.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.586 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.6 mp -70.38 118.79 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.753 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -103.95 112.29 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.664 ' HA ' HD12 ' A' ' 42' ' ' ILE . 16.1 p-10 -81.06 126.17 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.821 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.75 25.17 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 4.0 m -62.16 -25.98 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -118.42 29.3 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -137.22 122.86 19.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -174.32 103.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.4 154.78 51.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 11.1 t -113.16 -48.0 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.487 ' H ' HD23 ' A' ' 177' ' ' LEU . 0.3 OUTLIER -55.57 176.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.53 146.87 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -78.92 169.04 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.39 161.76 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.6 mtt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.771 0.32 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.06 175.69 29.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.1 p -124.6 174.12 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 t -75.8 109.28 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -145.89 -178.99 6.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -97.48 170.39 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -53.63 172.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -146.99 116.01 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.556 ' O ' HD12 ' A' ' 16' ' ' ILE . 84.4 m-70 -96.57 -169.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -86.24 116.64 24.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 14' ' ' HIS . 3.2 mp -138.07 152.58 26.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -94.96 -32.72 13.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.461 ' H ' HG22 ' A' ' 16' ' ' ILE . . . 77.24 -92.12 1.05 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.447 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -133.68 172.44 12.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.824 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -139.69 170.28 16.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -179.53 1.72 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.658 ' O ' HG22 ' A' ' 114' ' ' THR . . . -167.35 -178.64 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p -129.79 157.95 40.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -7.79 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.2 p -50.97 -26.72 6.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.75 40.54 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.71 105.87 5.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.9 t30 63.0 39.63 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CD2' HG21 ' A' ' 114' ' ' THR . 31.0 t80 -100.0 140.49 34.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.85 95.65 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.965 HG23 HD11 ' A' ' 34' ' ' ILE . 9.6 p -77.52 -17.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.074 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -65.13 -15.1 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -88.16 -57.04 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.965 HD11 HG23 ' A' ' 31' ' ' VAL . 37.6 pt -52.79 -26.51 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.514 ' CG ' HG22 ' A' ' 66' ' ' VAL . 62.0 t30 -57.95 127.04 30.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.89 179.09 15.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -51.66 119.59 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.78 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.3 m95 -107.86 176.31 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -162.59 144.16 10.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.63 100.0 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.567 HG21 ' HB2' ' A' ' 145' ' ' LEU . 7.6 mm -66.0 -68.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 41' ' ' ILE . 29.0 mm -139.94 147.04 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.64 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.6 tp -118.34 128.01 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.519 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -134.05 127.44 32.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.663 ' OG ' HD22 ' A' ' 135' ' ' LEU . 2.9 m -163.23 149.26 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 17.0 t0 -68.98 81.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.566 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 165.78 79.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HD2' HD11 ' A' ' 168' ' ' ILE . 13.8 mmm-85 -56.3 -24.97 46.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -79.19 -7.32 58.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -100.1 -44.92 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.566 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -109.04 49.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.143 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.78 -169.51 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.47 -30.2 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.27 64.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -101.75 -168.44 27.44 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -115.66 -17.76 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -100.22 -7.51 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HB2' HD11 ' A' ' 170' ' ' LEU . 17.2 ptt85 -73.33 -6.54 46.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.664 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -49.57 159.37 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -86.99 160.55 18.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.585 HD23 ' HB3' ' A' ' 38' ' ' TRP . 49.4 tp -101.22 151.25 22.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -109.13 -172.72 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -80.6 107.99 13.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.78 HD12 ' CD1' ' A' ' 38' ' ' TRP . 4.4 mt -62.9 139.48 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -105.46 99.22 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.628 ' CG1' HG22 ' A' ' 31' ' ' VAL . 25.8 m -64.73 123.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.531 HD11 HG23 ' A' ' 72' ' ' VAL . 13.5 mt -110.63 -166.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -56.93 13.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -129.26 -19.52 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.411 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.9 m -108.65 -179.75 3.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.49 122.47 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.531 HG23 HD11 ' A' ' 67' ' ' LEU . 40.7 t -79.91 148.24 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -149.77 134.99 18.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 152.2 33.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.664 ' HB3' HD22 ' A' ' 59' ' ' LEU . 94.2 m-85 -128.91 165.98 20.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -113.36 115.65 28.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.646 ' CG2' HD23 ' A' ' 59' ' ' LEU . 73.1 p -138.51 142.48 39.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -93.68 161.14 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -148.45 120.28 8.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 59.53 47.69 10.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 59.46 35.1 22.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -140.41 121.7 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 73.1 m -51.63 147.72 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.54 -179.47 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -156.19 138.14 14.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.648 HD12 ' HE3' ' A' ' 88' ' ' MET . 0.6 OUTLIER -101.28 178.21 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t -129.86 128.97 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.648 ' HE3' HD12 ' A' ' 86' ' ' LEU . 17.8 mmt -125.3 159.41 31.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.2 t -150.1 104.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -85.55 124.58 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -118.53 152.08 36.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -66.92 152.05 46.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.1 p -137.04 173.39 11.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.94 -23.14 52.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -58.5 -176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.64 107.7 17.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.01 31.63 65.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.622 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.9 tt0 -124.71 106.16 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.536 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 6.0 m-85 -79.83 170.13 16.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.3 p -131.34 122.74 26.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.92 170.22 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.193 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.9 m -108.05 91.19 3.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.54 172.45 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -49.82 -26.83 4.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.46 161.47 26.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.525 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -50.38 124.03 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.58 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.1 169.44 23.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.59 133.58 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.825 ' HB2' HD12 ' A' ' 124' ' ' LEU . 3.8 t80 -103.06 138.13 40.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 98' ' ' GLU . 10.4 p -143.51 175.49 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 121' ' ' MET . 68.0 mt -139.86 90.37 10.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.711 0.767 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -48.74 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.398 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.26 109.07 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.8 t -110.26 89.32 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.89 52.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -32.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -48.31 -45.0 34.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -121.09 -65.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CD2' HG23 ' A' ' 149' ' ' ILE . 20.0 p90 -139.04 134.03 32.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 114' ' ' THR . 16.9 tp -91.82 147.1 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.527 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.2 mtm -128.21 135.8 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.92 169.35 12.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -150.19 109.87 4.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.825 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.7 tt -126.32 139.52 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.3 mt -127.0 133.27 68.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -120.94 131.94 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -118.35 99.93 7.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -143.96 156.39 44.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 62.19 31.77 17.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.09 18.12 66.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -144.97 148.15 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.1 t -140.01 159.23 42.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.76 158.54 44.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -94.06 107.84 19.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 136' ' ' MET . 3.0 tm? -89.98 137.7 32.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.717 ' N ' HD13 ' A' ' 135' ' ' LEU . 7.9 mtt -139.48 109.69 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.64 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -106.67 109.72 3.15 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.614 HD21 HD12 ' A' ' 145' ' ' LEU . 9.6 tp -79.86 133.48 36.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.465 ' N ' HD12 ' A' ' 138' ' ' LEU . 20.6 m-85 -126.28 157.5 38.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.65 153.39 24.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -51.39 -28.36 12.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.41 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.3 OUTLIER -108.05 163.1 17.7 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.2 Cg_endo -69.78 -6.49 18.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -150.93 149.17 29.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.614 HD12 HD21 ' A' ' 138' ' ' LEU . 28.6 mt -113.71 144.91 42.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.0 t -69.13 -179.79 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 p -79.11 -5.27 53.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.7 -33.48 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.563 HG23 ' CD2' ' A' ' 119' ' ' PHE . 94.2 mt -90.71 -44.17 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -53.26 -31.17 42.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.02 -31.45 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -65.14 -20.51 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.476 ' HB2' HD22 ' A' ' 138' ' ' LEU . 17.4 t80 -80.19 -45.91 17.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.87 -23.43 31.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -61.6 -59.62 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.0 tp -60.03 -31.16 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 78.0 m -57.27 -70.28 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -57.89 -24.25 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -76.83 -25.41 53.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -95.38 -6.55 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 107.79 11.05 25.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 40.0 mt -103.56 104.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.09 153.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.734 ' HA ' HD13 ' A' ' 167' ' ' ILE . 40.9 tpt85 -67.04 -23.69 65.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.52 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.2 mt-10 -72.88 -19.99 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.614 ' O ' HD12 ' A' ' 168' ' ' ILE . 17.4 m-20 -80.67 -9.54 59.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.734 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -69.76 109.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.729 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.2 mp -103.57 132.92 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 42' ' ' ILE . 5.4 p-10 -83.92 138.05 33.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 58' ' ' ARG . 4.6 mm? -110.89 -27.39 8.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -30.0 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -114.95 29.61 7.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -135.03 111.81 10.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -179.47 136.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.16 -62.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.9 t 63.25 27.27 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 59.1 mt -120.37 -70.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -155.58 143.61 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -90.03 170.1 10.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -122.48 149.12 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.17 125.44 1.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 p -115.1 176.65 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.806 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 m -137.72 177.93 7.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -168.86 171.24 8.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -78.55 173.82 12.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -111.6 -74.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -174.2 -175.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.438 ' NE2' HD11 ' A' ' 16' ' ' ILE . 1.4 t60 -63.62 174.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.642 ' O ' HD13 ' A' ' 16' ' ' ILE . 10.1 p80 -157.61 115.03 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.642 HD13 ' O ' ' A' ' 15' ' ' HIS . 24.2 mm -134.84 150.79 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.18 -174.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.02 -42.59 1.41 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 80.6 mtm-85 -79.62 154.73 28.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.71 0.291 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -58.56 170.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.41 -179.8 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.69 ' O ' HG22 ' A' ' 114' ' ' THR . . . -146.46 -179.4 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 t -130.56 161.72 30.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -6.64 46.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.9 p -53.8 -24.57 15.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.57 40.18 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -128.84 102.1 6.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.2 t30 52.88 49.77 19.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.455 ' CD2' HG21 ' A' ' 114' ' ' THR . 35.6 t80 -100.08 143.22 30.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -129.74 107.48 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.834 HG23 HD11 ' A' ' 34' ' ' ILE . 8.0 p -89.95 -15.07 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.83 -12.09 61.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.809 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -89.67 -55.83 3.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.834 HD11 HG23 ' A' ' 31' ' ' VAL . 25.8 pt -54.18 -24.9 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.417 ' CG ' HG22 ' A' ' 66' ' ' VAL . 57.3 t30 -58.78 128.1 35.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.53 178.8 15.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -51.64 119.87 4.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 0.0 110.812 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.797 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.2 m95 -106.66 178.99 4.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -162.47 139.79 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.8 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.77 99.96 12.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.58 HG21 HD12 ' A' ' 145' ' ' LEU . 7.8 mm -65.91 -64.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.513 HD13 ' O ' ' A' ' 41' ' ' ILE . 26.6 mm -142.21 144.32 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.498 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.3 tp -114.56 130.71 56.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.517 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -134.98 130.18 35.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 t -166.52 146.0 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 26.2 t0 -68.18 81.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.86 73.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.716 ' HD2' HD11 ' A' ' 168' ' ' ILE . 3.3 mmm180 -55.38 -29.08 57.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.08 -4.98 41.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -100.97 -50.39 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.691 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -96.38 42.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.65 -174.21 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.42 117.18 2.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 60.42 40.15 17.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.71 -144.63 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -124.92 -36.13 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -96.74 -8.4 31.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.688 ' HG3' HD11 ' A' ' 170' ' ' LEU . 33.5 ttt180 -75.47 67.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.676 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -117.69 155.5 29.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -83.35 132.9 34.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 62' ' ' GLU . 45.1 tp -77.47 148.91 35.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.544 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -109.47 -170.28 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -79.7 107.22 12.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.797 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.7 mt -61.84 139.4 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -104.92 99.28 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.544 HG12 HG22 ' A' ' 31' ' ' VAL . 19.4 m -64.99 121.17 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.529 HD11 HG23 ' A' ' 72' ' ' VAL . 16.6 mt -110.56 -167.45 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -60.58 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -129.6 -16.1 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.2 m -109.79 -179.92 3.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.31 127.78 8.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.542 HG13 HG22 ' A' ' 89' ' ' VAL . 60.5 t -86.58 143.37 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.469 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.2 pt? -144.33 130.57 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -107.35 151.0 26.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.65 ' CB ' HD22 ' A' ' 59' ' ' LEU . 20.3 m-85 -121.53 173.62 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -125.57 102.06 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.676 ' CG2' HD23 ' A' ' 59' ' ' LEU . 38.1 p -119.19 148.37 43.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 m -105.21 158.53 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.45 120.95 7.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 t70 63.48 44.86 5.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 61.8 25.01 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -125.58 145.4 50.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 93.0 m -73.45 144.19 46.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.43 -179.52 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.26 143.76 13.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.497 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -106.11 178.92 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.3 p -128.22 125.2 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.479 ' CE ' HD12 ' A' ' 86' ' ' LEU . 16.2 mmt -131.01 156.18 45.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.542 HG22 HG13 ' A' ' 72' ' ' VAL . 97.9 t -150.19 109.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -84.13 116.16 22.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.48 141.92 38.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -55.32 167.32 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.7 p -151.85 179.83 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.192 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -66.82 -21.31 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -59.3 177.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.2 105.96 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.65 32.89 82.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.639 ' HA ' HG22 ' A' ' 110' ' ' THR . 34.4 tt0 -134.36 109.39 8.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.602 ' O ' HG22 ' A' ' 108' ' ' THR . 3.8 m-85 -80.14 170.1 16.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.81 113.3 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.422 HG22 ' HB2' ' A' ' 90' ' ' ALA . 55.8 t -96.76 145.96 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.227 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.8 m -95.81 92.68 6.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.32 173.02 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.39 -27.91 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.65 -90.02 0.73 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -158.64 135.56 9.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.525 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -161.05 170.52 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -145.03 123.44 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.784 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.4 t80 -99.45 138.03 37.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.6 p -143.62 177.83 8.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.667 HG23 ' O ' ' A' ' 121' ' ' MET . 79.1 mt -141.95 89.5 8.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.84 -32.07 18.96 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.28 108.44 9.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.1 t -106.43 89.27 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.62 48.68 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -42.96 -33.9 0.88 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -46.09 -46.03 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -122.43 -69.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.543 ' CD2' HG23 ' A' ' 149' ' ' ILE . 30.5 p90 -133.13 132.66 41.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 114' ' ' THR . 24.7 tp -93.25 151.64 19.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.667 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.5 mtt -128.56 141.5 51.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.22 132.37 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.688 ' CE1' HD11 ' A' ' 125' ' ' ILE . 12.3 t-160 -115.98 108.03 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' ' 109' ' ' PHE . 3.7 tt -115.93 151.34 35.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.688 HD11 ' CE1' ' A' ' 123' ' ' HIS . 4.9 mt -137.6 138.68 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -122.16 118.65 29.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -112.71 100.54 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -146.8 156.53 43.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t70 63.53 26.77 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.791 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.64 5.82 69.71 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -129.42 147.09 51.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.3 t -143.27 160.69 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.563 ' HE2' HD12 ' A' ' 135' ' ' LEU . 0.4 OUTLIER -153.53 149.83 28.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -93.67 110.48 22.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.563 HD12 ' HE2' ' A' ' 133' ' ' PHE . 6.6 tt -108.91 142.85 38.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.61 ' SD ' HD23 ' A' ' 156' ' ' LEU . 18.8 ttm -133.02 118.62 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.498 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -98.69 111.29 4.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 139' ' ' TYR . 8.5 tp -84.74 130.71 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.833 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.461 ' N ' HD12 ' A' ' 138' ' ' LEU . 14.8 m-85 -125.5 157.11 37.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -146.41 154.48 25.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -53.93 -23.34 12.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -118.14 163.32 25.44 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.717 0.77 . . . . 0.0 110.869 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.0 Cg_endo -69.7 -4.77 14.66 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.738 2.292 . . . . 0.0 112.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -149.04 140.04 22.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.58 HD12 HG21 ' A' ' 41' ' ' ILE . 17.7 mt -109.3 158.38 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.6 t -82.38 179.74 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.5 m -80.4 -6.11 57.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.38 -32.82 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.543 HG23 ' CD2' ' A' ' 119' ' ' PHE . 87.8 mt -91.02 -44.15 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -28.83 35.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.0 -31.18 61.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -63.36 -21.16 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.408 ' HB2' HD22 ' A' ' 138' ' ' LEU . 6.0 t80 -80.35 -43.91 20.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.03 47.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -62.58 -56.36 18.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.61 HD23 ' SD ' ' A' ' 136' ' ' MET . 16.1 tp -67.72 -28.23 67.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 96.3 m -55.1 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.38 -29.82 67.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -68.48 -30.08 68.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -91.49 10.89 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.96 17.08 58.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 10.1 mt -111.37 99.52 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.145 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.57 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.16 160.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.766 ' HA ' HD13 ' A' ' 167' ' ' ILE . 11.8 tpt85 -72.38 -26.61 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.57 ' HB2' HD12 ' A' ' 163' ' ' LEU . 1.9 mm-40 -68.08 -13.21 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.57 ' O ' HD12 ' A' ' 168' ' ' ILE . 53.3 m-20 -90.69 -7.79 51.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.766 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -73.92 109.73 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.716 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.7 mp -102.57 134.1 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.459 ' HA ' HD12 ' A' ' 42' ' ' ILE . 3.2 p-10 -87.95 137.53 32.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.688 HD11 ' HG3' ' A' ' 58' ' ' ARG . 4.5 mm? -111.65 -24.84 9.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 2.4 t -51.69 -42.5 62.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -109.78 25.93 11.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.563 ' HB1' ' NH2' ' A' ' 58' ' ' ARG . . . -138.78 110.24 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -159.76 123.82 3.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -146.82 106.48 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -94.4 -25.37 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 11.0 mt -120.72 176.62 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -165.84 143.27 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.19 155.48 19.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -135.19 -177.84 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 20.3 tpp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.853 0.359 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.23 -140.7 4.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 p -117.71 168.67 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -94.96 119.91 34.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -168.99 161.48 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -99.87 82.13 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -101.86 49.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -51.9 -36.14 47.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -75.94 99.13 4.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -97.4 106.85 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.81 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -140.58 144.2 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -80.84 141.19 34.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.67 -47.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -79.88 116.58 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -140.01 169.8 17.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.7 175.81 4.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.588 ' O ' HG22 ' A' ' 114' ' ' THR . . . -170.05 -179.6 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -138.57 165.88 25.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -1.56 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.7 p -60.12 -18.4 47.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.68 40.16 1.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -133.08 100.18 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 t30 51.92 50.94 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' HG21 ' A' ' 114' ' ' THR . 51.6 t80 -100.21 133.51 44.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -122.66 108.84 13.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.789 HG23 HD11 ' A' ' 34' ' ' ILE . 10.5 p -90.24 -13.08 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.76 -11.55 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -90.26 -54.19 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.789 HD11 HG23 ' A' ' 31' ' ' VAL . 18.5 pt -55.4 -25.61 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -57.79 127.59 32.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.36 -178.79 17.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.417 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -53.93 119.83 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.765 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.7 m95 -107.71 177.78 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -163.12 149.2 12.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.2 102.34 14.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.675 HG21 HD12 ' A' ' 145' ' ' LEU . 7.0 mm -73.02 -65.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 41' ' ' ILE . 30.4 mm -138.3 147.38 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.543 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.0 tp -120.54 122.52 40.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.988 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.599 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -129.47 132.34 46.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.524 ' OG ' HD12 ' A' ' 51' ' ' ILE . 64.3 p -170.35 148.8 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.9 p-10 -69.13 80.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.619 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.77 75.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.708 ' HD2' HD11 ' A' ' 168' ' ' ILE . 9.8 mmm-85 -55.25 -27.66 47.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.98 -5.95 48.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 -44.27 5.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.641 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -104.5 45.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.059 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.99 -171.62 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -49.48 -57.39 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -107.45 49.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.56 -162.73 18.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -120.07 -29.34 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -95.2 -1.23 52.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.505 ' CD ' HD11 ' A' ' 170' ' ' LEU . 0.2 OUTLIER -72.42 78.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 -179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.659 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -136.25 156.2 49.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -85.39 160.17 19.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 38' ' ' TRP . 34.2 tp -102.4 150.5 23.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -109.1 -172.68 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -81.02 107.94 14.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.765 HD12 ' CD1' ' A' ' 38' ' ' TRP . 3.7 mt -62.27 139.7 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.63 99.69 9.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 31' ' ' VAL . 74.3 t -64.62 130.16 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 70' ' ' SER . 13.2 mt -118.04 -167.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.14 -53.85 47.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -132.28 -20.09 2.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.49 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.0 m -108.31 -179.06 3.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -155.97 123.6 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.413 HG23 HD11 ' A' ' 67' ' ' LEU . 50.5 t -79.75 148.07 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -147.96 137.88 22.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.74 152.15 40.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 50.9 m-85 -127.95 -172.79 2.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -132.79 110.14 10.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.659 ' CG2' HD23 ' A' ' 59' ' ' LEU . 39.9 p -129.33 142.46 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' A' ' 83' ' ' CYS . 2.6 m -106.36 161.28 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -147.73 114.78 6.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t0 64.89 51.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.418 ' OE2' ' HB3' ' A' ' 179' ' ' ALA . 31.9 mt-10 60.25 27.73 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -125.73 119.98 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.589 ' HA ' HG12 ' A' ' 78' ' ' VAL . 68.6 m -65.78 137.93 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.04 -179.72 8.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.97 143.77 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -110.35 178.21 4.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -137.75 148.7 45.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.49 ' HE1' HD11 ' A' ' 86' ' ' LEU . 5.2 mtt -145.3 170.24 16.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.5 t -139.36 99.31 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.43 116.93 20.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.89 164.19 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -79.37 152.34 30.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.4 p -135.5 173.07 12.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.31 -19.83 56.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -59.84 -172.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.04 106.82 17.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 51.96 33.07 35.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.515 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.68 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.7 tt0 -120.99 107.05 12.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.901 0.382 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -79.55 170.01 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.952 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.06 126.25 39.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.91 170.43 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.8 m -104.56 91.27 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.231 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.29 171.82 7.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.94 -25.93 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.09 169.2 26.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -50.81 121.55 6.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.538 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -157.66 169.87 23.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.65 133.7 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.812 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.2 t80 -102.86 134.34 46.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.68 HG22 ' HA ' ' A' ' 98' ' ' GLU . 13.1 p -140.16 175.18 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 121' ' ' MET . 9.1 mt -137.01 94.93 12.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.43 ' CE ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -119.13 108.59 14.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.692 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -107.42 90.31 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.68 52.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.12 -33.84 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -49.84 -42.77 48.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.07 -68.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.614 ' CD2' HG23 ' A' ' 149' ' ' ILE . 24.5 p90 -139.06 133.23 31.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 114' ' ' THR . 23.8 tp -91.91 150.32 21.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.3 mtm -131.43 135.9 47.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -129.77 154.63 47.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.588 ' CE1' HD11 ' A' ' 125' ' ' ILE . 9.8 t-160 -137.93 109.56 7.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.2 tt -120.95 137.54 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.588 HD11 ' CE1' ' A' ' 123' ' ' HIS . 21.2 mt -121.72 133.68 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -124.02 121.64 35.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -111.02 101.73 10.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -143.31 158.82 43.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 58.14 34.26 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 65.55 14.72 60.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -137.67 148.0 45.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.6 t -142.29 160.25 40.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.444 ' HE2' HD23 ' A' ' 135' ' ' LEU . 3.0 p90 -154.39 154.57 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -93.56 109.25 20.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 136' ' ' MET . 3.1 tm? -96.26 139.2 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.672 ' N ' HD13 ' A' ' 135' ' ' LEU . 3.5 mtm -140.18 116.74 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.543 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -108.31 109.89 2.98 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.458 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 139' ' ' TYR . 2.6 tp -79.49 123.0 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.555 ' N ' HD12 ' A' ' 138' ' ' LEU . 18.1 m-85 -114.98 161.49 18.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -154.1 152.28 23.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -50.14 -31.67 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.472 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 2.5 mm-40 -108.03 160.12 28.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.2 Cg_endo -69.77 -6.47 18.69 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -147.15 138.47 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.675 HD12 HG21 ' A' ' 41' ' ' ILE . 30.9 mt -108.59 145.49 34.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -69.61 179.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.4 m -80.25 -5.4 56.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -90.6 -31.57 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.614 HG23 ' CD2' ' A' ' 119' ' ' PHE . 88.4 mt -91.08 -43.28 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -58.75 -27.82 65.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -74.18 -30.76 62.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -58.75 -45.76 88.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 9.5 t80 -61.73 -36.73 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.849 ' HB1' ' HD2' ' A' ' 164' ' ' ARG . . . -63.6 -17.61 63.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -80.42 -28.0 37.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.43 HD13 ' CE ' ' A' ' 113' ' ' LYS . 9.3 tp -90.85 -35.97 14.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 9.8 p -51.24 -33.3 27.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.0 -35.83 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.92 -26.24 65.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -90.71 7.23 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.2 -8.0 75.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.7 mt -82.48 101.84 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.891 0.377 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.13 151.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.993 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.849 ' HD2' ' HB1' ' A' ' 154' ' ' ALA . 2.0 mmm180 -62.38 -23.71 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.658 ' HB2' HD12 ' A' ' 163' ' ' LEU . 12.4 mm-40 -75.57 -25.33 57.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.543 ' O ' HD12 ' A' ' 168' ' ' ILE . 16.8 m-20 -70.76 -10.19 58.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.599 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -71.4 118.67 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.708 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -105.06 123.46 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.422 ' HA ' HD12 ' A' ' 42' ' ' ILE . 9.7 p-10 -71.24 132.38 44.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.505 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.4 mm? -103.48 -25.29 13.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.1 p -52.77 -28.89 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -113.04 29.97 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -133.11 114.5 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -179.38 136.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -147.96 -75.14 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.8 t 51.78 61.17 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 88.0 mt -132.45 -176.28 4.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -125.75 114.43 18.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.001 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ALA . . . . . 0.418 ' HB3' ' OE2' ' A' ' 81' ' ' GLU . . . -83.99 170.35 14.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.62 171.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.773 0.32 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.4 -152.58 23.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.7 p -132.59 178.43 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -83.05 -174.88 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -129.25 -67.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -125.94 150.09 48.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -161.23 179.78 8.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 63.37 58.59 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.788 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -111.23 158.13 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -155.54 167.27 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -140.34 150.24 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.16 161.09 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.91 -176.4 43.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.545 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -137.21 160.3 39.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -139.86 169.97 16.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.85 -179.84 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.645 ' O ' HG22 ' A' ' 114' ' ' THR . . . -158.2 -179.09 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -130.78 155.79 46.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -72.26 -7.61 50.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.7 p -57.08 -20.43 25.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.95 40.11 1.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -128.27 99.75 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 t30 54.25 49.02 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CD2' HG21 ' A' ' 114' ' ' THR . 30.5 t80 -99.98 141.81 32.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -130.08 102.19 6.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.995 HG23 HD11 ' A' ' 34' ' ' ILE . 8.1 p -83.46 -19.23 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.64 -20.13 64.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -82.8 -57.43 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.995 HD11 HG23 ' A' ' 31' ' ' VAL . 46.4 pt -54.11 -25.79 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.422 ' CG ' HG23 ' A' ' 66' ' ' VAL . 60.0 t30 -55.22 143.09 28.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.85 -175.21 17.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -57.39 132.76 54.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.811 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.5 m95 -116.53 -176.67 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -162.73 139.41 7.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.09 99.94 12.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.718 HG21 HD12 ' A' ' 145' ' ' LEU . 7.7 mm -69.09 -68.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 41' ' ' ILE . 25.2 mm -138.44 149.26 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.748 HD23 ' CG2' ' A' ' 51' ' ' ILE . 1.4 tp -124.57 119.6 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -121.94 135.83 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.527 ' HB2' HD22 ' A' ' 135' ' ' LEU . 38.8 t -171.11 143.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.2 t70 -69.33 81.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.703 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.4 61.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.499 ' HD2' HD11 ' A' ' 168' ' ' ILE . 7.3 mmm180 -39.6 -48.88 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -51.63 -41.72 61.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 47' ' ' LYS . 14.1 tppt? -69.16 -50.35 48.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.748 ' CG2' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -99.26 47.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.75 -173.59 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -48.83 -60.68 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -94.76 25.59 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.58 -170.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -117.8 -21.74 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -96.47 -4.29 41.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' A' ' 170' ' ' LEU . 6.7 tmm_? -75.05 72.05 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.655 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -127.07 149.86 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -81.32 159.82 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.722 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.1 tp -96.74 152.95 18.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -109.06 -172.21 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -79.93 107.96 13.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.811 HD12 ' CD1' ' A' ' 38' ' ' TRP . 23.1 mt -71.09 139.76 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -109.72 142.09 41.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.422 HG23 ' CG ' ' A' ' 35' ' ' ASN . 64.4 t -94.79 118.01 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.19 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.62 HD21 HG23 ' A' ' 72' ' ' VAL . 2.0 mm? -109.39 -170.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -56.66 7.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -144.75 13.29 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.525 ' C ' HD23 ' A' ' 71' ' ' LEU . 1.4 m -127.13 -179.51 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.525 HD23 ' C ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -149.01 116.81 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.62 HG23 HD21 ' A' ' 67' ' ' LEU . 97.9 t -79.97 114.52 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.728 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.6 pt? -121.39 137.14 54.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -123.38 152.61 41.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.728 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 49.2 m-85 -130.35 168.14 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -114.93 118.07 32.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.655 ' CG2' HD23 ' A' ' 59' ' ' LEU . 36.2 p -134.02 137.61 44.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 m -93.6 161.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.1 tpt85 -149.99 121.19 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 59.62 46.96 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 61.03 29.18 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -131.97 119.83 21.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 80.0 m -55.14 146.58 18.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.78 -179.7 4.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.94 149.4 23.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -112.38 176.25 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.1 p -123.06 132.31 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.52 159.46 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 89' ' ' VAL . 2.5 p -150.05 101.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -79.17 115.4 18.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.17 156.02 22.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -65.25 159.13 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 100' ' ' SER . 34.4 p -146.11 175.76 10.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.56 -24.11 44.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.11 178.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.36 112.35 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.76 25.27 65.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.7 ' HA ' HG22 ' A' ' 110' ' ' THR . 6.9 tt0 -125.15 104.52 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.426 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 21.5 m-85 -80.16 170.04 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.415 ' HB2' HG21 ' A' ' 93' ' ' THR . 0.3 OUTLIER -128.78 127.21 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.9 m -109.18 170.36 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.4 m -103.08 92.25 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.11 173.2 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.11 -28.29 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -140.03 -152.05 5.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.522 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -84.39 125.58 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.411 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.97 164.09 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.56 131.33 20.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.811 ' HB2' HD12 ' A' ' 124' ' ' LEU . 6.2 t80 -98.82 135.96 39.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 98' ' ' GLU . 22.2 p -140.8 173.62 11.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 121' ' ' MET . 60.5 mt -138.86 89.67 12.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.7 Cg_endo -69.81 -45.78 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.343 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.35 107.74 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.9 t -108.6 89.45 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.2 50.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -44.45 -32.7 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -47.84 -45.17 29.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -122.09 -68.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CD2' HG23 ' A' ' 149' ' ' ILE . 23.0 p90 -135.59 132.65 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 114' ' ' THR . 20.2 tp -92.62 149.88 21.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.522 ' O ' HG23 ' A' ' 111' ' ' ILE . 2.5 mtp -128.04 143.77 51.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.36 166.42 24.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.059 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.573 ' CE1' HD11 ' A' ' 125' ' ' ILE . 17.6 t-160 -150.13 111.62 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.811 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.6 tt -126.91 127.64 45.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' A' ' 123' ' ' HIS . 7.9 mt -113.96 140.27 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -127.73 146.4 50.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -133.31 99.42 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -146.32 160.74 41.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 63.95 20.14 12.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 77.71 20.71 73.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -150.16 154.03 37.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.401 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.2 t -141.72 160.24 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.6 151.85 30.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -91.49 107.12 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 136' ' ' MET . 3.1 tm? -97.87 139.37 33.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.7 ' N ' HD13 ' A' ' 135' ' ' LEU . 9.7 mtp -139.13 118.39 12.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.629 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -103.47 110.35 3.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.551 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.641 HD22 ' HB2' ' A' ' 153' ' ' PHE . 2.5 tp -82.84 119.1 23.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.552 ' N ' HD12 ' A' ' 138' ' ' LEU . 18.2 m-85 -110.72 155.15 22.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -143.2 149.19 21.13 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.402 ' HG3' ' HG2' ' A' ' 142' ' ' GLU . 14.5 ptt-85 -50.05 -30.49 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.709 0.29 . . . . 0.0 110.871 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -109.95 163.72 16.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.0 Cg_endo -69.8 -5.13 15.5 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.292 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -150.75 138.83 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 41' ' ' ILE . 25.7 mt -108.64 149.42 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -74.92 -179.88 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 m -80.17 -4.1 51.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -90.78 -33.2 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.558 HG23 ' CD2' ' A' ' 119' ' ' PHE . 90.9 mt -90.87 -43.68 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -54.1 -28.2 37.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -76.28 -30.35 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -62.86 -23.54 67.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.641 ' HB2' HD22 ' A' ' 138' ' ' LEU . 16.8 t80 -79.92 -42.32 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.16 -21.86 48.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -63.98 -50.93 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.521 HD22 ' CE ' ' A' ' 121' ' ' MET . 0.6 OUTLIER -73.88 -24.43 59.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 92.1 m -59.47 -69.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -55.67 -30.66 61.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.66 -28.54 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -92.52 15.22 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.88 9.05 78.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 31.4 mt -106.84 97.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.34 166.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.775 ' HA ' HD13 ' A' ' 167' ' ' ILE . 5.1 tpp85 -73.64 -30.37 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.59 ' HB2' HD12 ' A' ' 163' ' ' LEU . 20.6 mm-40 -66.8 -13.28 61.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.505 ' O ' HD12 ' A' ' 168' ' ' ILE . 10.8 m-20 -90.35 -5.81 55.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.775 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -76.44 109.56 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 166' ' ' ASN . 2.0 mp -101.45 125.49 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.498 ' HA ' HD12 ' A' ' 42' ' ' ILE . 1.6 p30 -84.47 128.84 34.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.43 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.3 mm? -97.31 -18.08 19.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 21.4 p -56.87 -22.74 39.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -94.05 -24.83 17.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -120.38 109.7 15.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -140.06 36.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -116.38 147.64 41.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.69 -36.74 47.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 177' ' ' LEU . 0.3 OUTLIER -149.7 164.62 34.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -93.94 18.75 9.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -83.4 166.5 18.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 154.95 47.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.785 0.326 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.19 175.03 35.48 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.532 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -134.05 179.94 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -119.22 179.01 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -163.08 176.85 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -114.94 131.03 57.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.9 -173.48 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -151.05 -176.8 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -124.06 170.63 10.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -145.97 179.73 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mp -110.03 149.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -149.11 -176.44 5.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.35 -171.85 0.46 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -80.37 130.38 35.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.732 0.301 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.25 152.68 20.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.87 -179.93 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.704 ' O ' HG22 ' A' ' 114' ' ' THR . . . -162.91 -179.79 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 m -131.99 161.81 32.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -74.33 -6.69 49.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 p -53.55 -24.64 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.5 40.14 1.39 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -130.15 100.19 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.5 t30 56.74 47.42 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CD2' HG21 ' A' ' 114' ' ' THR . 40.0 t80 -100.16 142.85 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.46 107.46 9.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.903 HG23 HD11 ' A' ' 34' ' ' ILE . 7.1 p -90.28 -13.49 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.11 -15.73 63.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -86.54 -56.29 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.903 HD11 HG23 ' A' ' 31' ' ' VAL . 22.7 pt -54.65 -24.92 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -59.8 126.43 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.81 179.42 16.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -51.71 119.68 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.747 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.8 m95 -106.31 -178.94 3.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -162.7 144.87 10.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.6 m -93.87 99.68 12.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.725 HG21 HD12 ' A' ' 145' ' ' LEU . 8.4 mm -68.21 -68.1 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.576 HD13 ' O ' ' A' ' 41' ' ' ILE . 25.4 mm -138.89 149.57 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 51' ' ' ILE . 1.6 tp -122.63 115.46 22.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.488 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -121.39 129.8 53.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.608 ' HB2' HD22 ' A' ' 135' ' ' LEU . 29.4 t -168.22 149.36 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 5.0 t0 -68.81 81.69 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.8 74.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.528 ' HD2' HD11 ' A' ' 168' ' ' ILE . 3.0 mmm180 -56.14 -25.56 46.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.64 -5.14 52.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.73 -40.51 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.496 HG22 HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -113.5 51.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -170.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.95 -31.32 28.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -130.91 66.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -102.31 -171.42 27.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.56 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -117.26 -27.99 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -88.81 -6.92 57.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -81.44 61.38 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.699 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -111.8 149.37 31.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -79.43 117.29 20.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.439 HD23 ' HB3' ' A' ' 38' ' ' TRP . 42.6 tp -58.75 152.77 18.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' H ' HD12 ' A' ' 61' ' ' LEU . 63.8 mm-40 -109.33 -173.03 2.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -81.2 107.5 14.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.747 HD12 ' CD1' ' A' ' 38' ' ' TRP . 3.9 mt -62.68 139.75 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -107.66 100.39 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.05 123.37 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.561 HD11 HG23 ' A' ' 72' ' ' VAL . 14.7 mt -111.42 -167.46 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -60.22 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -127.67 -18.21 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.7 m -109.3 -179.46 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.49 124.93 8.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.561 HG23 HD11 ' A' ' 67' ' ' LEU . 47.1 t -79.88 146.45 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.579 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -149.93 136.61 19.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -121.55 152.69 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.676 ' HB3' HD22 ' A' ' 59' ' ' LEU . 76.6 m-85 -130.67 167.24 19.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -133.67 102.43 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.699 ' CG2' HD23 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -122.01 134.75 54.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.529 HG13 ' C ' ' A' ' 82' ' ' GLU . 4.4 t -71.87 116.51 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.5 137.91 44.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.4 t70 53.45 41.04 32.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 62.33 25.61 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.529 ' C ' HG13 ' A' ' 78' ' ' VAL . 23.2 mt-10 -137.91 128.3 26.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.512 ' N ' HG13 ' A' ' 78' ' ' VAL . 58.3 m -50.19 149.44 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.8 t -170.19 173.19 5.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.79 146.5 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -116.92 177.36 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.2 m -133.42 128.43 35.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.2 mtm -136.34 170.37 16.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.0 p -149.87 108.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.29 115.35 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -103.58 169.5 8.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -87.04 165.95 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.8 p -151.31 179.45 8.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -80.97 -1.11 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -70.19 -174.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.54 99.66 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 54.45 25.61 34.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.391 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.681 ' HA ' HG22 ' A' ' 110' ' ' THR . 13.1 tt0 -113.32 110.42 20.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -80.22 163.21 24.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.59 122.1 39.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.17 138.17 51.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.5 m -75.5 92.99 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.47 172.53 6.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.55 -26.43 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.03 167.81 28.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.547 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -49.74 117.47 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.527 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -154.83 170.25 22.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.58 125.88 10.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.063 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.648 ' CB ' HD12 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -99.83 132.48 45.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 98' ' ' GLU . 7.2 p -134.07 174.64 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.475 HG23 ' O ' ' A' ' 121' ' ' MET . 31.1 mt -137.74 89.8 14.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.741 . . . . 0.0 111.167 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -49.13 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -112.51 107.67 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.8 t -108.14 89.16 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.01 50.75 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.08 -33.12 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.985 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -49.62 -43.47 46.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -121.99 -70.45 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.546 ' CD2' HG23 ' A' ' 149' ' ' ILE . 39.2 p90 -134.78 131.6 37.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 114' ' ' THR . 18.7 tp -93.3 148.89 21.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.475 ' O ' HG23 ' A' ' 111' ' ' ILE . 3.7 mmm -131.29 141.25 49.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.26 144.63 40.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.415 ' CE1' HD11 ' A' ' 125' ' ' ILE . 14.6 t-160 -123.11 117.71 26.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.648 HD12 ' CB ' ' A' ' 109' ' ' PHE . 4.8 tt -127.94 151.07 49.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.415 HD11 ' CE1' ' A' ' 123' ' ' HIS . 16.1 mt -139.99 136.32 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -126.99 125.96 42.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.772 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.59 99.82 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -139.11 155.18 48.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.58 31.64 18.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.84 9.93 60.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.548 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -133.81 149.16 51.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.903 0.383 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.7 t -139.48 160.09 40.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.59 149.06 30.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -90.41 107.2 19.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 136' ' ' MET . 2.7 tm? -98.17 139.95 33.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.726 ' N ' HD13 ' A' ' 135' ' ' LEU . 15.0 mtt -143.99 111.6 6.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.447 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -99.24 116.74 5.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.674 HD22 ' HB2' ' A' ' 153' ' ' PHE . 2.4 tp -88.27 121.98 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.579 ' N ' HD12 ' A' ' 138' ' ' LEU . 21.3 m-85 -113.27 155.41 25.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -142.26 149.09 20.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -29.57 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.4 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.7 OUTLIER -114.23 164.43 16.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.748 . . . . 0.0 110.846 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.4 Cg_endo -69.68 -4.45 13.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -147.38 136.95 22.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.725 HD12 HG21 ' A' ' 41' ' ' ILE . 20.0 mt -108.97 143.85 37.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -68.28 172.75 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.3 m -75.59 -5.7 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.65 -29.83 17.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.546 HG23 ' CD2' ' A' ' 119' ' ' PHE . 83.5 mt -90.96 -45.22 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.15 -30.94 39.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.13 -31.82 66.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -63.06 -26.66 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.674 ' HB2' HD22 ' A' ' 138' ' ' LEU . 14.5 t80 -75.49 -46.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.02 -29.07 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -60.9 -49.42 77.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.2 -27.07 65.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 60.8 m -65.9 -66.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -58.33 -22.55 53.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.86 -27.86 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -90.51 3.24 54.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 97.9 10.17 52.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.2 104.44 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.344 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.84 150.76 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.71 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -64.94 -22.41 66.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.618 ' HB2' HD12 ' A' ' 163' ' ' LEU . 24.0 mm-40 -73.35 -20.51 60.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.501 ' O ' HD12 ' A' ' 168' ' ' ILE . 18.5 m-20 -80.81 -5.03 56.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.71 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -75.13 110.06 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.528 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.8 mp -101.62 121.2 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 42' ' ' ILE . 3.1 t0 -91.59 127.63 37.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.768 HD22 ' O ' ' A' ' 170' ' ' LEU . 0.0 OUTLIER -140.08 5.64 2.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 171' ' ' SER . . . . . 0.438 ' N ' HD13 ' A' ' 170' ' ' LEU . 0.3 OUTLIER -50.64 -46.7 58.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -97.15 23.76 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -133.79 128.7 35.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -131.77 31.64 4.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.793 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -53.78 123.32 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.54 27.09 9.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 177' ' ' LEU . 0.6 OUTLIER -179.01 153.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -111.33 26.9 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -71.87 159.39 34.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.84 152.88 33.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.5 mtp . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.87 81.7 1.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.1 p -82.29 179.93 7.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -118.63 -74.15 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -171.4 177.43 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -172.2 172.57 4.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -107.82 -176.21 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -164.66 159.52 18.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -78.84 171.78 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -92.25 173.03 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.4 mm -99.94 144.65 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.79 -33.02 7.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.86 124.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.554 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.75 -179.47 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -51.61 170.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.51 -179.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.644 ' O ' HG22 ' A' ' 114' ' ' THR . . . -152.86 -178.95 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 p -129.94 155.99 45.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 p -69.93 -10.15 57.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.5 p -54.84 -23.45 18.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.58 40.06 1.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -127.53 99.97 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 58.54 43.78 18.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.588 ' CD2' HG21 ' A' ' 114' ' ' THR . 25.7 t80 -99.6 142.0 31.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -130.13 97.11 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.878 HG23 HD11 ' A' ' 34' ' ' ILE . 9.1 p -78.09 -12.98 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.84 -20.42 63.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -81.44 -55.6 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.878 HD11 HG23 ' A' ' 31' ' ' VAL . 26.8 pt -55.79 -23.62 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -61.27 130.42 46.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.75 -178.76 16.84 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.429 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -54.32 119.27 4.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.816 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.4 m95 -104.63 -176.59 3.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -162.84 148.65 12.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.0 m -96.09 99.37 11.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.827 HG21 HD12 ' A' ' 145' ' ' LEU . 10.0 mm -69.54 -69.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.147 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.624 HG12 HG22 ' A' ' 41' ' ' ILE . 24.2 mm -142.13 148.26 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.712 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.5 tp -118.21 126.9 53.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.502 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -131.5 129.85 41.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.031 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.62 145.63 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 6.9 p-10 -68.29 81.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.21 72.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 168' ' ' ILE . 2.6 mmm180 -54.57 -29.25 50.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.66 -6.3 47.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.13 -50.97 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.833 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -93.3 40.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -173.25 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -52.59 121.78 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.788 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 62.79 30.76 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.15 -158.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -121.51 -6.82 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -125.64 8.48 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.62 58.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -111.7 155.9 22.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -77.43 151.22 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 38' ' ' TRP . 35.0 tp -95.79 151.27 19.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.73 -172.66 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -82.21 107.93 15.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.816 HD12 ' CD1' ' A' ' 38' ' ' TRP . 6.5 mt -61.46 139.48 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -108.2 102.6 11.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.45 HG22 HG22 ' A' ' 31' ' ' VAL . 83.1 t -66.28 112.93 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.191 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.607 HD11 HG23 ' A' ' 72' ' ' VAL . 38.0 mt -100.84 -168.67 1.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -55.58 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -141.27 10.19 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.51 ' C ' HD23 ' A' ' 71' ' ' LEU . 7.7 m -129.27 -179.96 5.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.526 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -148.29 122.83 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.607 HG23 HD11 ' A' ' 67' ' ' LEU . 97.7 t -87.64 118.38 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.755 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.4 pt? -122.81 135.52 54.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -118.51 152.45 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.755 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 81.5 m-85 -131.55 157.37 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -106.7 120.46 42.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.658 ' CG2' HD23 ' A' ' 59' ' ' LEU . 18.5 p -135.86 147.06 48.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -90.99 118.1 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -110.38 129.75 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 59.28 43.87 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 59.12 27.7 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -139.21 134.28 32.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 83.3 m -48.45 139.83 8.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.24 -179.54 8.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -157.28 138.42 13.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -103.58 178.21 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.9 p -132.35 110.59 10.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.3 mmt -110.5 161.96 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.0 p -150.2 109.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.35 108.39 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -102.92 152.58 21.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -64.06 170.56 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.533 HG21 ' HB3' ' A' ' 100' ' ' SER . 45.3 p -151.51 179.78 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -56.72 -25.89 55.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -71.56 166.81 21.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.87 102.19 10.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.33 -26.39 24.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.7 ' HA ' HG22 ' A' ' 110' ' ' THR . 13.4 tt0 -86.66 103.74 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.526 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.6 m-85 -83.5 159.07 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.533 ' HB3' HG21 ' A' ' 93' ' ' THR . 83.5 p -121.82 116.58 24.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.2 137.41 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 97.8 m -72.64 92.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.98 172.53 6.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -49.37 -26.83 3.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.26 163.35 28.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.566 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -49.69 120.17 4.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.627 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -156.28 168.52 27.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.17 125.29 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.851 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.8 t80 -98.9 130.24 45.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.3 p -136.57 173.92 11.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.448 HD11 ' HZ ' ' A' ' 109' ' ' PHE . 55.7 mt -139.14 89.63 12.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -48.76 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.763 2.309 . . . . 0.0 112.301 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.524 ' HE3' HD13 ' A' ' 156' ' ' LEU . 1.0 OUTLIER -111.97 108.89 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.647 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -112.08 89.53 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.8 52.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.06 -33.33 1.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -49.47 -43.95 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -121.02 -69.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.604 ' CD2' HG23 ' A' ' 149' ' ' ILE . 26.4 p90 -136.57 133.4 36.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 114' ' ' THR . 22.4 tp -91.51 150.61 21.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.439 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.3 mtm -130.47 133.03 45.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -128.21 157.36 41.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.571 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.9 t-160 -140.68 110.52 6.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.851 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.0 tt -124.39 130.03 51.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 123' ' ' HIS . 31.8 mt -116.54 127.21 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -119.07 126.63 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.42 99.75 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -140.66 156.49 46.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t0 61.45 30.59 18.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 69.27 14.02 68.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -137.37 152.49 49.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.2 t -144.86 160.19 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.429 ' CE2' HD23 ' A' ' 135' ' ' LEU . 0.3 OUTLIER -155.8 156.88 35.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -92.62 107.81 19.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 136' ' ' MET . 2.9 tm? -91.84 139.26 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.703 ' N ' HD13 ' A' ' 135' ' ' LEU . 13.0 mtt -142.35 109.74 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.712 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -100.62 113.41 4.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.511 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.5 tt -79.9 125.88 30.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.594 ' N ' HD23 ' A' ' 138' ' ' LEU . 13.1 m-85 -125.37 137.0 54.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.34 154.52 20.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -51.08 -30.33 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.0 OUTLIER -110.32 162.71 19.41 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.678 0.752 . . . . 0.0 110.874 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.6 Cg_endo -69.75 -5.65 16.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.385 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.7 139.16 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.827 HD12 HG21 ' A' ' 41' ' ' ILE . 16.7 mt -108.86 152.39 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.7 t -73.96 177.63 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.07 -7.35 58.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.07 -30.94 17.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 119' ' ' PHE . 88.5 mt -90.52 -44.71 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -53.79 -29.98 42.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.57 -30.09 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -60.51 -42.88 97.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.488 ' CD2' HD12 ' A' ' 138' ' ' LEU . 12.0 t80 -65.49 -43.06 91.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.63 -25.53 53.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.53 -55.61 29.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.524 HD13 ' HE3' ' A' ' 113' ' ' LYS . 12.6 tp -64.29 -29.35 70.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 79.7 m -57.94 -66.58 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -56.71 -26.09 55.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -69.05 -35.54 76.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -86.75 -4.34 59.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 110.83 -6.57 29.42 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 56.0 mt -82.25 98.15 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.384 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.24 148.26 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.699 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.7 OUTLIER -59.69 -23.53 63.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.667 ' HB2' HD12 ' A' ' 163' ' ' LEU . 28.5 mm-40 -74.9 -26.11 59.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.554 ' O ' HD12 ' A' ' 168' ' ' ILE . 26.8 m-20 -72.46 -10.11 59.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.699 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.8 mp -70.87 109.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.833 HD13 HG13 ' A' ' 51' ' ' ILE . 1.3 mp -95.77 115.92 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.579 ' HA ' HD12 ' A' ' 42' ' ' ILE . 7.3 p-10 -92.62 123.31 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.403 ' HB2' ' HB3' ' A' ' 173' ' ' ALA . 0.9 OUTLIER -132.17 25.92 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 92.8 p -55.96 -25.79 45.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -94.28 -17.07 23.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 170' ' ' LEU . . . -102.22 110.35 22.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.056 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -139.16 28.3 2.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -118.48 -178.15 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.4 m -70.39 -61.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.17 178.77 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -131.93 152.47 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -75.7 169.85 17.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -125.54 178.45 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.844 0.354 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.43 -164.07 34.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 p -139.87 179.91 6.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 p -107.3 -174.44 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -141.19 172.56 12.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -130.31 -172.44 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -136.87 -175.11 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -133.0 -173.2 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -146.12 -173.61 4.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.418 ' C ' HD12 ' A' ' 16' ' ' ILE . 20.6 p80 -59.01 -177.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.493 HG22 ' CG ' ' A' ' 17' ' ' GLU . 4.3 mp -129.79 -78.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' CG ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -177.39 -172.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.14 -114.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.425 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.81 134.43 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.879 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -139.63 171.4 14.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.32 178.06 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.625 ' O ' HG22 ' A' ' 114' ' ' THR . . . -166.34 -179.69 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -130.68 159.47 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -8.56 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -55.89 -21.68 21.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.86 40.15 1.34 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.563 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -126.41 99.72 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.6 t30 51.57 49.16 21.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CD2' HG21 ' A' ' 114' ' ' THR . 28.3 t80 -100.08 142.22 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -130.29 92.44 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 HD11 ' A' ' 34' ' ' ILE . 9.6 p -76.22 -14.0 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.71 -7.07 52.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -90.47 -55.62 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 31' ' ' VAL . 7.3 pt -53.67 -27.29 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' HB2' HG13 ' A' ' 66' ' ' VAL . 3.5 t30 -53.1 151.8 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.35 179.86 23.07 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -50.79 119.29 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.751 ' CD1' HD12 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -106.88 -176.84 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -162.9 148.46 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -100.08 99.83 10.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.629 HG21 HD12 ' A' ' 145' ' ' LEU . 6.8 mm -70.09 -68.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.661 HG23 ' HA ' ' A' ' 169' ' ' ASP . 21.2 mm -141.89 152.13 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.637 HD12 ' HA2' ' A' ' 137' ' ' GLY . 2.8 tp -117.67 145.27 44.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.58 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -149.62 129.79 13.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.481 ' OG ' HD12 ' A' ' 51' ' ' ILE . 25.5 p -170.39 148.89 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 13.0 t70 -68.08 81.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.578 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.13 75.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.561 ' HD2' HD11 ' A' ' 168' ' ' ILE . 7.7 mmm-85 -55.19 -28.05 50.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -76.26 -6.03 49.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 -45.66 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.584 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -102.93 45.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -172.09 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -51.45 -46.31 63.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.81 52.36 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.85 176.01 37.4 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.569 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.28 -19.5 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -93.88 -15.9 24.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -77.13 62.84 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.626 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -113.27 155.77 24.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -77.56 145.08 37.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 38' ' ' TRP . 27.3 tp -90.26 150.44 21.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.66 -171.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -81.14 107.77 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.751 HD12 ' CD1' ' A' ' 38' ' ' TRP . 13.1 mt -64.72 140.87 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 99.92 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 35' ' ' ASN . 6.8 m -67.54 110.59 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD11 HG23 ' A' ' 72' ' ' VAL . 27.1 mt -94.4 -167.76 1.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -53.94 -53.98 45.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.99 -19.38 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.474 ' C ' HD23 ' A' ' 71' ' ' LEU . 67.6 m -107.86 -179.31 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.583 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -147.63 134.83 20.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.492 HG23 HD11 ' A' ' 67' ' ' LEU . 48.2 t -96.44 116.66 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.745 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.4 pt? -118.75 135.84 54.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -117.89 153.24 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.745 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 81.1 m-85 -131.32 173.08 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -121.87 119.62 32.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.808 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.626 ' CG2' HD23 ' A' ' 59' ' ' LEU . 41.1 p -143.95 144.55 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.19 161.36 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -149.11 121.35 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.05 47.23 3.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 59.01 29.63 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -131.1 130.24 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.2 m -63.15 144.07 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.28 -179.73 7.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -160.36 140.9 11.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.471 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -103.31 179.38 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -141.18 104.61 4.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.471 ' CE ' HD12 ' A' ' 86' ' ' LEU . 20.3 mmt -101.78 163.45 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 90.0 t -146.73 125.01 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.528 ' CA ' HG12 ' A' ' 101' ' ' VAL . . . -94.82 115.9 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -105.63 144.51 32.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -62.39 159.64 14.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 74.3 p -140.47 179.16 6.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -78.15 -4.07 45.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -72.59 -173.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.68 99.59 8.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.51 24.71 68.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.505 ' HA ' HG22 ' A' ' 110' ' ' THR . 1.1 tp10 -119.03 100.76 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.583 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.7 m-85 -79.62 170.06 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.5 m -141.89 119.47 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.528 HG12 ' CA ' ' A' ' 90' ' ' ALA . 30.4 m -102.1 170.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.7 m -100.2 91.08 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.45 172.61 6.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.43 -26.9 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.79 165.45 27.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -50.0 122.74 7.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.799 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.412 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -154.79 169.23 24.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.7 134.06 28.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.875 ' HB2' HD12 ' A' ' 124' ' ' LEU . 4.7 t80 -104.53 138.77 40.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 98' ' ' GLU . 17.4 p -146.08 175.1 10.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -138.93 89.06 13.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.595 0.712 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.297 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.26 108.63 16.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.8 t -108.33 89.18 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.68 50.89 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -45.61 -34.05 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -51.57 -39.26 57.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -121.41 -69.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.625 ' CD2' HG23 ' A' ' 149' ' ' ILE . 24.6 p90 -138.38 135.73 35.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.718 HD13 ' N ' ' A' ' 121' ' ' MET . 3.4 tm? -91.31 142.13 28.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.718 ' N ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -130.49 109.39 10.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.444 ' HB1' ' HE1' ' A' ' 109' ' ' PHE . . . -109.33 143.56 38.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.532 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.8 t-160 -120.84 118.9 31.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.875 HD12 ' HB2' ' A' ' 109' ' ' PHE . 3.7 tt -132.21 126.7 34.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' A' ' 123' ' ' HIS . 20.5 mt -109.4 138.7 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.43 122.71 36.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -110.78 105.86 14.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -149.8 157.46 43.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 42.4 t0 62.98 31.61 16.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.35 13.01 64.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -140.55 153.87 46.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.0 t -143.06 159.96 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -152.94 156.57 39.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -94.12 109.43 21.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.676 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -98.17 138.6 35.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.676 ' N ' HD13 ' A' ' 135' ' ' LEU . 8.0 mtp -144.55 112.89 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.637 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -100.6 113.34 4.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.449 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' A' ' 153' ' ' PHE . 9.1 tp -78.92 125.9 29.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.949 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.642 ' HD2' HD12 ' A' ' 120' ' ' LEU . 5.3 m-85 -121.03 157.81 29.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -151.08 154.62 25.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -51.3 -28.31 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -112.11 162.53 20.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 0.0 110.936 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.3 Cg_endo -69.81 -6.08 17.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.0 141.83 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.642 HD22 HG21 ' A' ' 149' ' ' ILE . 20.7 mt -108.85 142.2 39.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.1 t -66.16 -180.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.7 m -80.52 -7.88 59.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.06 -31.33 17.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.642 HG21 HD22 ' A' ' 145' ' ' LEU . 92.2 mt -90.87 -44.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -53.17 -31.55 43.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.73 -31.73 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -63.06 -21.55 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 13.5 t80 -77.79 -46.06 22.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.423 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -55.41 -31.17 61.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.32 -44.62 96.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.65 -36.08 67.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 84.4 m -54.21 -69.21 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.06 -35.75 64.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.04 -33.77 76.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.63 -3.51 58.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 102.16 11.15 37.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 42.8 mt -103.69 105.2 17.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.453 HD12 ' CG ' ' A' ' 165' ' ' GLU . 0.0 OUTLIER -45.44 149.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.552 ' HA ' HD13 ' A' ' 167' ' ' ILE . 16.7 tpt85 -69.65 -33.71 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.453 ' CG ' HD12 ' A' ' 163' ' ' LEU . 14.2 pt-20 -68.01 -11.65 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.478 ' O ' HD12 ' A' ' 168' ' ' ILE . 2.0 m-20 -86.51 -7.12 58.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.58 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -71.83 113.5 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.584 HD13 ' CG1' ' A' ' 51' ' ' ILE . 1.4 mp -101.08 113.96 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.661 ' HA ' HG23 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -77.48 118.24 19.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.844 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.555 ' O ' HD12 ' A' ' 170' ' ' LEU . 1.6 pp -111.03 20.94 16.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 6.8 p -61.24 -27.35 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -96.65 23.21 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -146.8 126.49 13.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -140.75 -74.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -73.28 -179.83 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 59.6 m -52.01 136.27 29.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 40.2 mt -150.39 173.66 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -171.85 137.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.77 136.58 32.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.9 -21.37 9.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.777 0.322 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.77 169.16 17.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.5 t -99.8 151.98 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.863 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 p -147.55 153.8 39.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -175.49 133.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.86 23.53 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 51.77 55.76 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -162.99 161.53 25.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -155.64 151.24 27.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -158.83 177.73 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.1 mm -117.72 150.27 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -121.11 -177.57 3.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.18 -149.24 0.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -113.62 132.8 55.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -140.12 169.86 16.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -179.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.66 ' O ' HG22 ' A' ' 114' ' ' THR . . . -153.79 -179.48 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 p -132.01 156.49 46.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -68.22 -11.81 59.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.7 p -56.23 -21.66 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 40.04 1.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.417 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 18.1 ttp85 -124.57 100.06 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.5 t30 54.59 46.7 24.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.504 ' CD2' HG21 ' A' ' 114' ' ' THR . 23.4 t80 -100.0 140.52 34.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -129.91 95.73 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.935 HG23 HD11 ' A' ' 34' ' ' ILE . 9.2 p -74.27 -15.77 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.61 -30.88 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -56.02 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.935 HD11 HG23 ' A' ' 31' ' ' VAL . 46.2 pt -56.29 -21.74 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -62.71 126.7 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.61 -171.24 22.05 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.459 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -60.86 119.4 8.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.838 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.5 m95 -106.82 178.85 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -162.7 148.16 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.35 99.09 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.645 HG21 HD12 ' A' ' 145' ' ' LEU . 9.7 mm -65.33 -70.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.64 HG12 HG22 ' A' ' 41' ' ' ILE . 23.3 mm -142.93 146.63 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.556 HD23 HG22 ' A' ' 51' ' ' ILE . 1.1 tp -117.28 126.15 52.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.526 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -132.05 129.19 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.517 ' OG ' HD12 ' A' ' 51' ' ' ILE . 13.6 p -171.34 151.18 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.3 t70 -68.55 81.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.626 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.94 75.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.69 ' HD2' HD11 ' A' ' 168' ' ' ILE . 9.9 mmm-85 -55.02 -28.83 55.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.6 -7.11 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -100.68 -45.43 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -104.61 45.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -172.54 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -49.45 -52.28 30.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -115.09 57.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.15 -167.96 44.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.559 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -116.89 -13.85 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -109.65 2.26 20.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -82.93 4.9 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.635 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.1 pp -50.04 150.54 2.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.07 131.64 34.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' A' ' 38' ' ' TRP . 45.7 tp -74.22 149.33 40.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.33 -170.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -80.25 107.36 12.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.838 HD12 ' CD1' ' A' ' 38' ' ' TRP . 13.1 mt -62.0 132.81 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.449 ' HB3' ' HB ' ' A' ' 72' ' ' VAL . 25.3 t-80 -106.05 99.16 8.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.493 HG22 HG22 ' A' ' 31' ' ' VAL . 75.7 t -54.23 139.73 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.72 HD11 ' CG2' ' A' ' 72' ' ' VAL . 18.3 mt -129.83 -167.98 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.64 -55.4 19.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.59 9.47 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.428 ' HB2' HD12 ' A' ' 67' ' ' LEU . 5.8 m -131.82 -179.59 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.482 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -144.57 121.6 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.72 ' CG2' HD11 ' A' ' 67' ' ' LEU . 18.8 t -80.63 111.54 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.592 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.3 pt? -122.23 133.47 54.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -112.85 151.56 30.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.573 ' CB ' HD22 ' A' ' 59' ' ' LEU . 18.4 m-85 -121.11 167.51 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -120.82 99.89 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 59' ' ' LEU . 75.7 p -114.01 142.4 46.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -106.86 161.44 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -147.36 117.51 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 61.72 48.81 5.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 62.18 21.33 12.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -117.14 130.23 56.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 m -69.27 138.85 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.49 179.81 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -160.14 148.16 16.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.476 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -111.19 179.25 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.8 p -122.15 113.96 20.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.418 ' HE3' HD12 ' A' ' 86' ' ' LEU . 16.1 mmt -118.92 159.35 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.9 t -149.86 102.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.57 114.68 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.15 179.78 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.3 172.07 14.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 100' ' ' SER . 17.8 p -144.91 179.47 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.7 -24.89 59.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 175.24 9.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.81 107.11 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 105.19 -31.43 8.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.66 ' HA ' HG22 ' A' ' 110' ' ' THR . 3.3 tt0 -80.87 109.95 15.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 0.0 110.835 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.482 ' CE2' HD21 ' A' ' 71' ' ' LEU . 6.7 m-85 -89.91 160.95 16.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.432 ' HB3' HG22 ' A' ' 93' ' ' THR . 1.1 t -123.95 127.56 48.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 p -121.06 139.97 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.1 m -74.12 92.44 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.61 172.15 6.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -50.38 -26.62 5.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.96 169.05 28.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -50.02 118.66 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.377 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.41 167.4 30.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.54 130.38 13.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.669 ' CB ' HD12 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -107.88 142.94 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.66 HG22 ' HA ' ' A' ' 98' ' ' GLU . 8.3 p -142.72 177.41 8.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 121' ' ' MET . 37.5 mt -137.21 90.84 15.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.633 0.73 . . . . 0.0 111.176 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.75 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' HZ3' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -115.35 108.09 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.2 t -105.96 88.08 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.75 51.54 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -44.82 -32.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -51.43 -42.59 61.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -121.14 -70.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.509 ' CD2' HG23 ' A' ' 149' ' ' ILE . 52.6 p90 -136.62 132.16 34.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.9 tp -94.11 147.81 22.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.52 ' O ' HG23 ' A' ' 111' ' ' ILE . 2.8 mtt -125.36 147.09 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.93 133.96 24.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -115.87 115.04 25.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.669 HD12 ' CB ' ' A' ' 109' ' ' PHE . 3.7 tt -125.97 151.53 46.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mt -140.96 133.22 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -123.47 128.18 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -116.23 99.6 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -138.45 156.27 47.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.0 t0 62.67 24.22 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.15 1.69 80.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -125.97 155.07 41.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.4 t -144.16 159.49 42.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -150.48 152.37 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -90.2 108.51 19.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.637 HD13 ' N ' ' A' ' 136' ' ' MET . 3.3 tm? -94.86 139.51 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.637 ' N ' HD13 ' A' ' 135' ' ' LEU . 6.0 mtt -138.35 113.79 9.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.977 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.482 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -104.06 109.81 3.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.443 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.94 126.61 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.605 ' N ' HD23 ' A' ' 138' ' ' LEU . 13.4 m-85 -121.85 148.03 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.18 153.32 25.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -51.44 -27.99 11.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.704 0.288 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.409 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -112.17 162.29 22.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.69 0.757 . . . . 0.0 110.862 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.5 Cg_endo -69.73 -6.03 17.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -150.17 139.29 21.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.645 HD12 HG21 ' A' ' 41' ' ' ILE . 24.0 mt -108.87 144.72 36.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 178.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.8 m -79.55 -4.59 52.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.94 -33.62 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.627 ' CG2' HD13 ' A' ' 145' ' ' LEU . 74.0 mt -90.57 -44.54 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -28.0 39.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.86 -30.03 58.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -62.95 -35.01 78.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 16.6 t80 -73.01 -39.61 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.63 -23.78 43.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -66.88 -51.94 49.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.438 HD22 ' HZ3' ' A' ' 113' ' ' LYS . 11.6 tp -62.39 -24.66 67.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 62.9 m -66.7 -67.57 0.44 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -55.59 -25.55 39.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.71 -26.1 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -94.19 0.68 55.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 102.39 0.86 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 31.7 mt -95.32 101.3 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.36 . . . . 0.0 111.199 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.44 148.25 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.69 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.1 OUTLIER -61.52 -22.2 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.658 ' HB2' HD12 ' A' ' 163' ' ' LEU . 13.6 mm-40 -74.45 -22.51 59.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.549 ' O ' HD12 ' A' ' 168' ' ' ILE . 38.3 m-20 -79.3 -4.63 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.69 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -73.55 109.6 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.69 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.6 mp -102.79 130.09 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 42' ' ' ILE . 6.9 m-20 -84.89 136.82 33.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.628 HD12 ' ND2' ' A' ' 174' ' ' ASN . 4.4 mm? -110.37 -18.71 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 63.5 p -51.64 -30.46 21.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -114.65 30.2 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -141.05 -179.45 6.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.628 ' ND2' HD12 ' A' ' 170' ' ' LEU . 18.3 m-20 61.49 99.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ARG . . . . . 0.404 ' HD2' HD21 ' A' ' 177' ' ' LEU . 21.3 ttm180 -158.12 28.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 11.4 m 53.16 54.83 9.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.404 HD21 ' HD2' ' A' ' 175' ' ' ARG . 2.7 pp -166.46 170.16 13.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -142.9 135.03 27.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -90.11 170.2 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 66.51 12.6 8.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.905 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.2 ttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.46 114.71 3.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 t -126.76 152.74 46.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 p -172.86 150.7 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -122.78 119.3 30.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -119.61 -175.34 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -107.54 -172.62 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -126.23 140.59 52.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -163.62 170.86 16.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.602 ' O ' HD13 ' A' ' 16' ' ' ILE . 88.3 m-70 -95.64 145.59 25.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.602 HD13 ' O ' ' A' ' 15' ' ' HIS . 31.0 mm -132.63 147.99 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -98.79 -173.39 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.41 166.15 37.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.437 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.78 132.17 47.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.882 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -135.68 170.07 16.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -69.72 179.94 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.54 ' O ' HG22 ' A' ' 114' ' ' THR . . . -167.49 -179.44 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -136.08 160.26 39.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.06 -8.06 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 p -59.08 -19.3 43.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.47 40.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -129.13 99.94 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.02 43.41 24.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD1' HG21 ' A' ' 114' ' ' THR . 31.1 t80 -94.82 137.53 33.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -129.94 93.52 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.782 HG23 HD11 ' A' ' 34' ' ' ILE . 7.9 p -74.87 -11.97 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -73.16 -12.21 60.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -89.3 -53.16 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.782 HD11 HG23 ' A' ' 31' ' ' VAL . 21.2 pt -56.49 -22.67 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -60.67 126.71 28.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.84 179.63 16.36 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -53.98 119.59 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.79 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.8 m95 -105.47 -178.78 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -163.0 144.7 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.468 HG22 HD21 ' A' ' 170' ' ' LEU . 2.8 m -93.59 99.74 12.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.735 HG21 HD12 ' A' ' 145' ' ' LEU . 8.3 mm -68.32 -68.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 169' ' ' ASP . 22.5 mm -140.31 150.14 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.662 HD12 ' HA2' ' A' ' 137' ' ' GLY . 4.7 tp -120.79 123.57 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -129.2 130.54 46.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.2 t -170.33 150.14 3.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.9 t0 -70.85 81.27 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.78 65.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.641 ' CD ' HD11 ' A' ' 168' ' ' ILE . 2.7 mmm180 -52.69 -33.75 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.58 -12.61 54.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.551 ' NZ ' HD23 ' A' ' 135' ' ' LEU . 3.5 ttpp -101.05 -34.03 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.734 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -108.29 42.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.13 -170.69 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -45.88 -49.65 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -107.55 47.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.42 -179.79 47.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -118.64 -20.91 8.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 110.809 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -103.8 -0.42 29.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -85.96 50.83 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -104.67 156.1 18.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.91 160.43 28.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.7 tp -103.6 151.39 22.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -171.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -81.13 107.47 13.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.79 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.7 mt -63.58 139.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.08 99.84 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.26 101.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.622 HD11 HG23 ' A' ' 72' ' ' VAL . 20.8 mt -85.14 -166.39 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -54.96 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -131.29 -20.19 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m -108.35 -179.19 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.797 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -143.1 138.01 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.622 HG23 HD11 ' A' ' 67' ' ' LEU . 61.4 t -97.79 115.23 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.597 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.5 pt? -123.27 133.97 54.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -118.45 151.57 37.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.757 ' HB3' HD22 ' A' ' 59' ' ' LEU . 93.5 m-85 -129.87 -173.97 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.958 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -149.55 106.04 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.707 ' CG2' HD23 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -132.85 135.55 45.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 83' ' ' CYS . 2.9 m -82.46 161.42 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.06 129.78 14.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 t0 62.89 43.95 6.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 59.04 26.98 15.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -128.68 126.42 40.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.552 ' HA ' HG12 ' A' ' 78' ' ' VAL . 41.0 t -64.9 127.91 33.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.7 t -153.99 166.87 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -135.52 153.77 51.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.691 ' H ' HD23 ' A' ' 86' ' ' LEU . 2.6 pt? -124.17 -179.78 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.8 p -140.37 135.11 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.438 ' HE3' ' CD1' ' A' ' 103' ' ' TYR . 7.0 mmt -135.42 165.75 24.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.9 p -150.41 112.54 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.82 118.86 21.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.39 155.11 20.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -72.04 165.07 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.522 HG21 ' HB3' ' A' ' 100' ' ' SER . 53.3 p -151.0 -179.9 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -78.43 -12.32 60.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -58.73 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.59 99.64 8.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.91 15.14 59.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.71 ' HA ' HG22 ' A' ' 110' ' ' THR . 4.1 tt0 -112.22 108.34 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.543 ' CE2' HD21 ' A' ' 71' ' ' LEU . 4.8 m-85 -80.21 162.68 24.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.522 ' HB3' HG21 ' A' ' 93' ' ' THR . 90.4 p -121.4 117.19 26.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 13.3 p -111.66 131.27 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.3 m -69.76 92.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.438 ' CD1' ' HE3' ' A' ' 88' ' ' MET . 0.7 OUTLIER -107.06 172.69 6.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.8 -27.56 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.45 161.71 27.67 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -49.54 119.57 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.662 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -156.67 169.97 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.63 126.27 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.84 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.4 t80 -99.09 128.25 45.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.71 HG22 ' HA ' ' A' ' 98' ' ' GLU . 10.9 p -133.16 174.86 9.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.169 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.54 HD11 ' HZ ' ' A' ' 109' ' ' PHE . 40.7 mt -139.0 89.9 12.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 54.1 Cg_endo -69.65 -48.81 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.556 ' HD3' HD22 ' A' ' 156' ' ' LEU . 1.6 mptm? -112.55 107.97 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.625 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.7 t -110.51 89.57 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.72 51.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.78 -32.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.978 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -47.47 -45.66 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -122.32 -69.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.585 ' CD2' HG23 ' A' ' 149' ' ' ILE . 25.1 p90 -133.59 133.6 42.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 114' ' ' THR . 23.2 tp -92.62 150.69 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.638 ' CE ' HD23 ' A' ' 156' ' ' LEU . 7.3 mmm -132.87 136.46 46.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.03 163.6 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.563 ' CE1' HD11 ' A' ' 125' ' ' ILE . 13.6 t-160 -143.27 114.29 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.84 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.4 tt -125.16 136.58 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 123' ' ' HIS . 21.6 mt -125.15 130.4 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.037 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -121.1 128.28 52.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -114.09 99.54 7.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.93 157.02 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.68 24.22 14.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.22 1.15 79.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.558 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -126.6 155.71 42.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.4 t -140.94 158.49 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -147.96 153.08 38.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -93.29 109.98 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.551 HD23 ' NZ ' ' A' ' 50' ' ' LYS . 3.1 tm? -98.83 135.16 40.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.47 ' H ' HD22 ' A' ' 135' ' ' LEU . 3.4 mtp -140.21 112.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.662 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -102.5 117.22 5.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 139' ' ' TYR . 3.5 tp -85.27 126.92 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.652 ' N ' HD12 ' A' ' 138' ' ' LEU . 22.8 m-85 -119.65 153.82 34.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -140.84 149.3 20.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -52.83 -24.08 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.0 OUTLIER -116.02 163.36 21.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.749 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.2 Cg_endo -69.79 -3.68 12.51 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.256 . . . . 0.0 112.362 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -150.41 139.17 20.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.735 HD12 HG21 ' A' ' 41' ' ' ILE . 17.2 mt -109.38 148.13 31.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.8 t -74.42 -179.85 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.0 m -81.13 -5.96 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -30.76 17.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.585 HG23 ' CD2' ' A' ' 119' ' ' PHE . 92.5 mt -90.84 -44.34 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -53.31 -31.17 42.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -71.74 -31.42 66.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -64.73 -19.83 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.597 ' HB2' HD22 ' A' ' 138' ' ' LEU . 12.5 t80 -82.93 -43.67 16.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.31 -25.29 33.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -63.04 -59.74 4.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.638 HD23 ' CE ' ' A' ' 121' ' ' MET . 16.7 tp -61.57 -28.58 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 91.4 m -58.2 -68.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.42 -25.94 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -73.16 -30.48 63.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -90.5 6.86 41.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.49 22.63 31.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.537 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.62 102.83 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 0.0 111.043 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.07 154.31 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.743 ' HA ' HD13 ' A' ' 167' ' ' ILE . 19.2 tpt85 -68.06 -23.54 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.588 ' HB2' HD12 ' A' ' 163' ' ' LEU . 4.7 mm-40 -71.65 -18.53 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.512 ' O ' HD12 ' A' ' 168' ' ' ILE . 28.7 m-20 -82.75 -9.57 59.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.743 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -70.77 109.79 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.734 HD13 HG13 ' A' ' 51' ' ' ILE . 1.3 mp -101.13 112.95 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.621 ' HA ' HD12 ' A' ' 42' ' ' ILE . 8.2 p-10 -78.13 121.69 24.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.468 HD21 HG22 ' A' ' 40' ' ' THR . 1.3 pp -115.57 20.77 14.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.04 -26.82 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -98.91 25.35 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -149.68 123.09 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -142.21 -49.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -76.35 165.79 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 2.0 m -61.05 171.2 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 26.1 mt -98.77 175.92 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -127.68 152.0 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.84 168.97 11.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -118.18 179.38 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.9 mmt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.8 0.333 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.17 -175.07 21.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.422 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -126.15 170.43 11.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 0.0 110.906 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -119.89 -56.03 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -114.05 35.24 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -154.16 -178.29 7.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 63.37 55.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.3 p80 -91.45 158.41 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -51.95 156.04 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -127.34 -87.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 mm -151.15 145.76 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.53 -67.51 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.49 -178.67 39.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -82.86 116.47 22.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -139.96 170.11 16.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.71 -179.9 1.94 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 114' ' ' THR . . . -160.38 -179.33 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -133.87 155.18 50.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 p -69.41 -11.11 60.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.8 p -54.58 -24.29 20.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.55 40.16 1.38 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -129.03 99.81 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 58.84 43.99 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CD2' HG21 ' A' ' 114' ' ' THR . 31.8 t80 -99.41 142.37 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -128.99 102.9 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.875 HG23 HD11 ' A' ' 34' ' ' ILE . 8.3 p -84.61 -12.21 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.48 -21.61 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -80.49 -55.11 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.875 HD11 HG23 ' A' ' 31' ' ' VAL . 22.2 pt -56.67 -22.48 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -61.88 125.45 23.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.72 179.66 16.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -51.43 119.64 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.814 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.1 m95 -106.13 -178.58 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -162.57 149.26 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.58 99.71 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.647 HG21 HD12 ' A' ' 145' ' ' LEU . 6.7 mm -67.84 -68.5 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.575 HD13 ' O ' ' A' ' 41' ' ' ILE . 26.4 mm -139.07 146.09 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.519 HD12 ' HA2' ' A' ' 137' ' ' GLY . 4.0 tp -116.6 120.31 38.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -128.06 132.77 49.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.639 ' HB2' HD22 ' A' ' 135' ' ' LEU . 40.1 t -167.19 150.62 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.1 p-10 -69.52 81.5 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.68 73.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.773 ' HD2' HD11 ' A' ' 168' ' ' ILE . 13.9 mmm-85 -56.3 -26.68 52.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.61 -3.33 43.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.01 -50.68 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.847 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -94.5 40.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.97 -170.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.44 119.73 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 60.75 38.59 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.47 -160.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -118.9 -28.77 5.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -100.61 -11.13 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.689 ' CG ' HD11 ' A' ' 170' ' ' LEU . 63.4 ttp85 -74.79 71.48 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.644 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -122.78 156.18 35.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.31 150.67 29.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.689 HD23 ' HB3' ' A' ' 38' ' ' TRP . 29.3 tp -95.96 150.25 20.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.61 -172.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -81.62 108.18 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.814 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.5 mt -62.22 139.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 100.84 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 31' ' ' VAL . 90.2 t -65.18 106.09 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.73 HD11 HG23 ' A' ' 72' ' ' VAL . 29.6 mt -91.15 -167.97 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.89 -53.47 52.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -133.54 -17.13 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -109.04 -179.64 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -144.66 124.78 13.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.73 HG23 HD11 ' A' ' 67' ' ' LEU . 57.4 t -86.04 118.02 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.713 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.1 pt? -123.58 137.06 54.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -119.44 153.02 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.713 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 82.4 m-85 -130.75 169.1 16.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -118.57 114.82 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.822 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.644 ' CG2' HD23 ' A' ' 59' ' ' LEU . 30.1 p -131.92 138.34 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 83' ' ' CYS . 2.6 m -96.16 160.95 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -149.82 118.3 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.48 47.54 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 59.97 30.99 20.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -132.84 129.29 38.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.401 ' HA ' HG12 ' A' ' 78' ' ' VAL . 75.9 m -64.7 142.55 58.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.26 -179.82 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.29 147.9 24.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 86' ' ' LEU . 1.2 pt? -110.79 173.18 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -122.18 131.4 53.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -133.62 166.84 21.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 89' ' ' VAL . 2.6 p -150.49 103.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.97 103.45 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.45 170.68 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -85.63 166.14 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.448 HG21 ' HB3' ' A' ' 100' ' ' SER . 64.5 p -150.42 166.6 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -18.02 58.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -58.32 -179.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.78 109.8 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 57.02 30.88 60.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.64 ' HA ' HG22 ' A' ' 110' ' ' THR . 7.8 tt0 -126.08 112.12 15.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.643 ' CE2' HD21 ' A' ' 71' ' ' LEU . 27.3 m-85 -87.18 156.41 19.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.448 ' HB3' HG21 ' A' ' 93' ' ' THR . 45.9 p -115.4 117.8 31.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.9 p -112.81 134.56 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 m -71.44 92.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -106.83 172.01 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -49.58 -26.77 3.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.61 163.67 28.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -49.82 117.3 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.676 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -153.28 170.29 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.73 123.91 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.829 ' HB2' HD12 ' A' ' 124' ' ' LEU . 0.8 OUTLIER -99.56 128.98 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 98' ' ' GLU . 5.0 p -134.07 176.37 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 121' ' ' MET . 24.6 mt -137.23 90.47 15.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.79 -48.26 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.78 2.32 . . . . 0.0 112.323 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.03 108.34 17.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.643 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.7 t -110.89 89.59 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.54 52.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.69 -32.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -50.04 -43.82 51.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -120.86 -69.56 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.589 ' CD2' HG23 ' A' ' 149' ' ' ILE . 19.1 p90 -137.12 133.57 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 114' ' ' THR . 20.4 tp -91.69 149.15 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.496 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.1 mtm -131.77 138.01 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.67 154.7 49.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.457 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.8 t-160 -134.38 117.42 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.829 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.4 tt -126.38 151.97 46.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' A' ' 123' ' ' HIS . 34.5 mt -141.66 127.14 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -119.73 125.35 48.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -111.03 99.87 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -138.51 157.04 46.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.19 29.02 18.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.09 7.16 66.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.554 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -132.11 152.76 51.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.5 158.33 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -148.36 151.47 35.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -93.08 106.48 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -92.88 139.93 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.684 ' N ' HD13 ' A' ' 135' ' ' LEU . 15.1 ttm -140.2 116.1 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.519 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -109.8 112.38 3.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.677 HD21 HD12 ' A' ' 145' ' ' LEU . 12.5 tp -80.25 140.05 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.518 ' H ' HD12 ' A' ' 138' ' ' LEU . 17.6 m-85 -133.97 156.34 48.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.66 153.82 25.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -53.67 -26.6 23.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.409 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.9 OUTLIER -107.78 162.86 18.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.754 0.788 . . . . 0.0 110.816 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.1 Cg_endo -69.72 -6.6 18.96 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -152.86 149.71 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.677 HD12 HD21 ' A' ' 138' ' ' LEU . 33.3 mt -113.27 149.68 33.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.8 t -74.79 -179.79 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.3 m -78.68 -5.64 53.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.33 -33.33 16.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.589 HG23 ' CD2' ' A' ' 119' ' ' PHE . 89.8 mt -90.86 -44.77 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -31.3 43.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -70.81 -31.5 68.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -66.16 -21.47 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -80.72 -47.72 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.0 -25.42 29.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -57.23 -56.57 20.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.65 HD23 ' SD ' ' A' ' 136' ' ' MET . 13.6 tp -66.84 -26.34 66.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 86.3 m -65.19 -68.64 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.47 -25.31 62.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.32 -23.65 60.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -100.52 10.1 41.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 100.03 -16.37 58.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 43.2 mt -77.2 92.11 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.677 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.11 169.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.822 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -66.03 -36.54 83.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.677 ' HB2' HD12 ' A' ' 163' ' ' LEU . 18.4 mm-40 -60.88 -18.38 55.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -83.31 -12.51 56.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.822 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.9 mp -78.27 109.58 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.847 HD13 HG13 ' A' ' 51' ' ' ILE . 1.9 mp -102.37 126.13 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.545 ' HA ' HD12 ' A' ' 42' ' ' ILE . 9.4 m-20 -81.13 125.31 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.689 HD11 ' CG ' ' A' ' 58' ' ' ARG . 4.2 mm? -96.89 -19.77 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 58.5 p -54.6 -26.98 35.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -108.05 29.15 7.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -157.2 119.13 3.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -178.82 -171.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 63.31 39.29 9.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 39.3 m 51.85 30.19 6.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 93.5 mt -144.76 167.35 22.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -166.84 123.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -51.97 158.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -110.04 -16.81 13.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.0 mtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.872 0.367 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.46 178.39 47.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -139.97 -179.98 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.7 p -149.33 171.62 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -152.09 178.5 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -142.24 179.39 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -157.92 163.25 38.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -174.17 159.48 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.487 ' NE2' HD11 ' A' ' 16' ' ' ILE . 17.1 t60 -175.19 164.42 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.582 ' O ' HD13 ' A' ' 16' ' ' ILE . 67.7 m-70 -154.85 129.51 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 15' ' ' HIS . 38.3 mm -137.44 146.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -116.55 -36.18 4.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.22 112.24 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.0 -179.6 3.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.728 0.299 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -51.67 170.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.86 179.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.708 ' O ' HG22 ' A' ' 114' ' ' THR . . . -145.33 -178.42 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 p -129.37 163.55 25.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 p -72.83 -6.57 45.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.3 p -52.09 -24.19 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.24 40.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.33 121.89 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.427 ' OD1' ' HB2' ' A' ' 22' ' ' ALA . 0.7 OUTLIER 39.48 44.21 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.528 ' CD2' HG21 ' A' ' 114' ' ' THR . 34.5 t80 -100.1 131.97 45.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -120.67 108.65 14.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.834 HG23 HD11 ' A' ' 34' ' ' ILE . 10.5 p -89.31 -15.03 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.14 -11.38 60.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -90.1 -54.86 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.834 HD11 HG23 ' A' ' 31' ' ' VAL . 31.9 pt -54.52 -25.79 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.048 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -57.45 130.52 46.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.12 -178.45 17.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.91 119.35 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.764 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.1 m95 -105.69 179.64 4.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -161.81 147.06 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -92.59 99.46 12.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.704 HG21 HD12 ' A' ' 145' ' ' LEU . 12.0 mm -70.89 -69.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 169' ' ' ASP . 26.5 mm -140.28 148.5 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.579 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.3 tp -117.03 133.64 55.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.565 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -139.36 129.25 24.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.5 ' HB2' HD22 ' A' ' 135' ' ' LEU . 44.4 t -170.77 148.37 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 30.1 t0 -68.84 81.25 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.535 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.85 74.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.601 ' HD2' HD11 ' A' ' 168' ' ' ILE . 9.5 mmm-85 -55.02 -28.58 53.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.42 -5.07 43.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.51 -43.13 6.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -110.16 50.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -171.46 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -49.77 -37.9 31.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -122.76 68.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.83 -173.73 20.7 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.433 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -117.67 -25.77 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -90.36 -19.76 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -77.26 59.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -116.2 156.97 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.8 159.89 33.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 38' ' ' TRP . 58.3 tp -107.46 153.3 23.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.51 -172.03 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -81.57 108.01 14.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.764 HD12 ' CD1' ' A' ' 38' ' ' TRP . 4.1 mt -63.05 140.11 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -105.56 99.14 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.532 HG22 HG22 ' A' ' 31' ' ' VAL . 69.2 t -63.86 128.58 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.471 HD12 ' HB2' ' A' ' 70' ' ' SER . 16.3 mt -116.82 -167.68 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -54.34 -53.21 56.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -133.28 -20.05 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.471 ' HB2' HD12 ' A' ' 67' ' ' LEU . 4.7 m -108.43 -179.68 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -155.05 122.82 5.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.872 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.441 HG23 HD11 ' A' ' 67' ' ' LEU . 47.1 t -79.83 147.73 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.67 131.07 15.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -107.43 152.83 23.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.712 ' HB3' HD22 ' A' ' 59' ' ' LEU . 92.9 m-85 -131.83 172.24 12.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -118.61 126.55 52.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.812 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.632 ' CG2' HD23 ' A' ' 59' ' ' LEU . 74.1 p -150.15 138.39 20.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.0 m -94.85 161.43 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -148.15 122.84 9.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 58.17 46.53 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 60.61 24.47 14.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -127.08 122.77 35.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.6 m -51.89 149.34 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.86 -179.73 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -160.33 142.35 12.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.532 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.8 OUTLIER -103.95 176.59 5.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -134.43 111.89 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.532 ' CE ' HD12 ' A' ' 86' ' ' LEU . 25.5 mmt -107.45 164.58 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.474 HG22 ' OD1' ' A' ' 91' ' ' ASP . 4.2 p -150.38 116.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.708 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -98.5 116.69 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.474 ' OD1' HG22 ' A' ' 89' ' ' VAL . 5.5 m-20 -115.2 160.13 20.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -69.08 152.49 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.524 HG21 ' HB3' ' A' ' 100' ' ' SER . 71.1 p -140.16 177.14 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -57.17 -23.85 50.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -58.18 179.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.03 106.89 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.42 32.54 83.36 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 110' ' ' THR . 11.8 tt0 -128.41 116.38 19.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.708 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 48.4 m-85 -79.32 169.37 18.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.524 ' HB3' HG21 ' A' ' 93' ' ' THR . 56.6 p -131.36 117.77 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 m -110.93 170.44 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.0 m -111.42 91.45 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.41 173.12 6.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -48.25 -28.1 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.58 162.18 26.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -49.78 122.66 6.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.615 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -159.51 166.26 31.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -140.09 137.15 34.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.798 ' HB2' HD12 ' A' ' 124' ' ' LEU . 6.0 t80 -102.26 138.79 38.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 98' ' ' GLU . 17.1 p -146.43 174.06 11.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 121' ' ' MET . 12.3 mt -136.87 95.54 12.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.695 . . . . 0.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.4 Cg_endo -69.86 -47.49 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.308 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.31 108.92 16.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.4 t -106.87 88.35 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -112.87 52.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -32.58 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.85 -44.17 49.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -121.06 -70.23 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.615 ' CD1' HG23 ' A' ' 149' ' ' ILE . 21.2 p90 -134.85 132.84 39.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.4 tp -92.17 148.46 22.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.633 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.7 ttm -125.09 147.32 49.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.6 161.89 35.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.477 ' CE1' HD11 ' A' ' 125' ' ' ILE . 8.8 t-160 -149.94 106.67 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.7 tt -120.8 124.59 45.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.477 HD11 ' CE1' ' A' ' 123' ' ' HIS . 64.3 mt -107.16 133.43 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -125.72 123.0 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -108.98 103.4 12.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 156.05 41.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.08 33.93 11.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.74 11.89 58.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -139.21 152.55 47.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.41 158.41 44.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -155.31 155.36 33.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -102.36 107.08 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.682 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -89.35 140.36 29.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.682 ' N ' HD13 ' A' ' 135' ' ' LEU . 53.3 mtm -138.48 108.97 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.579 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -98.0 116.74 5.62 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.511 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.64 125.21 29.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.616 ' N ' HD23 ' A' ' 138' ' ' LEU . 21.8 m-85 -120.19 155.35 33.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.43 157.49 27.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -47.19 -53.36 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 2.0 mt-10 -93.17 161.01 32.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.2 Cg_endo -69.89 -5.87 17.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.31 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -140.03 132.92 29.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.704 HD12 HG21 ' A' ' 41' ' ' ILE . 23.4 mt -108.51 138.42 44.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -62.78 175.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.3 m -77.1 -9.13 58.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -86.92 -32.37 20.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.615 HG23 ' CD1' ' A' ' 119' ' ' PHE . 83.4 mt -90.94 -47.47 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -31.15 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -71.11 -28.51 64.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -59.97 -42.76 94.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 12.9 t80 -66.4 -25.45 66.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.698 ' HB1' ' CD ' ' A' ' 164' ' ' ARG . . . -76.62 -16.17 59.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -78.83 -28.53 44.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.49 HD22 ' SD ' ' A' ' 121' ' ' MET . 3.0 tp -91.27 -36.3 13.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 9.3 p -49.87 -33.54 17.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.38 -40.37 67.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -70.92 -10.81 60.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -104.95 5.89 33.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.16 -19.21 47.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 25.7 mt -74.74 99.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 111.074 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.68 148.25 4.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.698 ' CD ' ' HB1' ' A' ' 154' ' ' ALA . 1.3 mmm-85 -59.51 -22.53 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.643 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.5 mt-10 -78.03 -25.71 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.577 ' O ' HD12 ' A' ' 168' ' ' ILE . 11.7 m-20 -70.54 -11.04 60.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.565 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -70.29 113.91 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.601 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -99.73 114.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.644 ' HA ' HD12 ' A' ' 42' ' ' ILE . 2.4 m-20 -89.08 122.44 32.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 173' ' ' ALA . 1.0 OUTLIER -133.82 25.74 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 1.3 t -56.63 -25.24 52.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -115.43 26.83 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 170' ' ' LEU . . . -135.22 109.85 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -175.68 112.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.21 165.83 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -98.38 129.64 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 177' ' ' LEU . 3.2 pp -53.08 171.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -125.05 138.38 54.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.62 162.41 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.59 -175.39 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 43.6 mtp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.786 0.326 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.39 35.32 0.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -126.17 133.26 51.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -166.63 163.31 16.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -97.96 -175.33 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 54.8 p-80 -157.69 171.19 20.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -99.37 148.62 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -146.39 132.35 19.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -69.92 143.48 52.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -165.95 148.76 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.93 146.66 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -56.31 156.21 6.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.31 -94.82 1.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -152.65 137.53 17.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -51.89 170.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.85 -179.63 1.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 114' ' ' THR . . . -167.45 -178.68 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.34 160.83 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -9.77 58.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.6 p -58.25 -20.25 40.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.34 40.16 1.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.565 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -124.45 100.3 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.83 48.38 22.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.49 ' CD2' HG21 ' A' ' 114' ' ' THR . 27.5 t80 -99.88 139.56 35.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -130.04 105.18 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.883 HG23 HD11 ' A' ' 34' ' ' ILE . 8.9 p -85.08 -14.52 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.49 -12.7 61.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -89.66 -57.15 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.883 HD11 HG23 ' A' ' 31' ' ' VAL . 25.5 pt -52.5 -27.44 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -55.95 148.02 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.32 -167.98 12.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -64.35 120.03 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 110.833 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.768 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.3 m95 -103.84 -178.07 3.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -162.88 144.27 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.44 99.6 11.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.696 HG21 HD12 ' A' ' 145' ' ' LEU . 7.8 mm -68.59 -68.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 41' ' ' ILE . 25.5 mm -140.65 146.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.647 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.3 tp -118.98 141.04 49.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.669 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -145.99 133.38 20.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.507 ' OG ' HD12 ' A' ' 51' ' ' ILE . 54.2 p -170.89 147.99 2.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 52.6 t0 -67.64 80.33 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.615 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.17 77.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.813 ' HD2' HD11 ' A' ' 168' ' ' ILE . 6.0 mmm180 -54.74 -28.62 49.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -75.3 -6.36 49.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.52 -41.92 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.747 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -108.1 47.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.69 -172.58 2.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.39 -40.29 49.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -119.31 69.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.61 -172.05 19.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.548 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -115.29 -28.65 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -91.97 -11.75 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -83.74 67.0 9.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.964 HD23 HG23 ' A' ' 77' ' ' THR . 0.3 OUTLIER -126.1 154.13 43.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.65 133.18 42.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.1 tp -77.88 152.54 33.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -109.51 -171.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -80.32 108.55 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.768 HD12 ' CD1' ' A' ' 38' ' ' TRP . 46.5 mt -70.17 136.02 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.16 136.73 41.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -95.48 118.39 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.592 HD21 HG23 ' A' ' 72' ' ' VAL . 1.8 mm? -108.29 -170.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.87 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -139.79 10.21 2.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.421 ' C ' HD23 ' A' ' 71' ' ' LEU . 1.4 m -124.41 179.06 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -148.86 116.45 6.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.592 HG23 HD21 ' A' ' 67' ' ' LEU . 92.5 t -82.42 118.72 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.744 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.5 pt? -122.84 135.03 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -118.94 152.08 36.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.791 ' HB3' HD22 ' A' ' 59' ' ' LEU . 77.2 m-85 -130.44 175.59 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -129.89 115.1 16.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.964 HG23 HD23 ' A' ' 59' ' ' LEU . 1.4 p -125.65 154.49 42.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.2 m -110.82 160.6 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -150.57 120.83 7.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 58.4 48.2 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 60.49 34.19 20.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -132.59 139.61 47.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.3 m -73.53 137.91 44.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.06 179.68 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -160.16 146.05 15.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -110.67 -179.63 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -132.7 105.39 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.469 ' SD ' HD12 ' A' ' 86' ' ' LEU . 20.7 mmt -107.71 161.44 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 89' ' ' VAL . 4.1 p -150.26 116.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.97 112.28 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.56 165.59 11.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -76.42 167.46 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.5 p -150.27 -179.65 7.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -81.82 -0.08 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -77.78 -176.6 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.87 115.07 29.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 52.66 31.53 37.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.71 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.6 tt0 -132.15 104.74 6.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.75 161.76 24.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 t -120.89 121.55 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.3 p -112.95 132.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.6 m -69.37 92.19 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.83 172.97 6.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.05 -26.62 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.938 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.96 163.99 28.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.432 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -49.67 121.38 5.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.69 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -159.13 169.16 24.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.66 127.28 19.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.823 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.3 t80 -99.56 131.08 45.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.71 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.9 p -136.14 177.89 7.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.632 HG23 ' O ' ' A' ' 121' ' ' MET . 37.6 mt -139.94 97.36 7.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.614 0.721 . . . . 0.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 54.1 Cg_endo -69.72 -48.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.17 109.1 14.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.697 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.5 t -102.7 88.71 3.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.83 50.19 0.94 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.55 -33.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -47.21 -45.6 23.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -122.11 -69.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CD2' HG23 ' A' ' 149' ' ' ILE . 33.0 p90 -132.84 131.16 40.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 114' ' ' THR . 19.9 tp -92.58 150.23 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.632 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.8 ttt -126.71 135.93 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -135.89 143.78 45.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.539 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.9 t-80 -128.69 110.7 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.796 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.823 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.9 tt -120.45 140.57 51.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' A' ' 123' ' ' HIS . 23.0 mt -127.13 131.47 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -122.63 132.7 54.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -119.78 99.55 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -136.6 157.39 46.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 59.86 24.32 13.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.33 0.44 78.07 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.418 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -122.87 153.16 40.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -143.79 159.08 43.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -149.95 154.23 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -91.9 109.25 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 136' ' ' MET . 3.4 tm? -96.8 140.43 31.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.667 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.3 OUTLIER -145.86 109.56 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.647 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -100.25 120.36 6.85 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 139' ' ' TYR . 3.0 tp -89.86 118.93 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.511 ' N ' HD12 ' A' ' 138' ' ' LEU . 22.3 m-85 -111.58 157.92 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -147.47 148.61 20.33 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.574 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -30.26 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.532 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.2 mm-40 -110.53 160.62 27.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.737 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.4 Cg_endo -69.74 -4.66 14.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -147.52 136.54 22.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 41' ' ' ILE . 23.3 mt -108.74 143.37 37.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.0 t -69.08 176.41 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 m -77.84 -4.23 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -32.68 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.538 HG23 ' CD2' ' A' ' 119' ' ' PHE . 93.0 mt -90.59 -45.87 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -54.99 -29.37 56.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -74.44 -30.48 61.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -57.24 -41.58 79.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.813 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 44' ' ' ALA . 15.6 t80 -67.43 -39.57 85.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.583 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -56.82 -20.1 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.02 -24.5 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 41.6 tp -90.16 -36.17 14.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 13.6 p -57.97 -35.99 71.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -70.95 -30.98 67.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -74.36 -27.03 60.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -91.22 6.62 44.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.26 -19.98 43.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 19.2 mt -69.9 99.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.976 0.417 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.629 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.07 147.55 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.583 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 23.3 tpt180 -61.74 -18.19 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.797 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.629 ' HB2' HD12 ' A' ' 163' ' ' LEU . 19.2 mm-40 -82.62 -11.16 58.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.623 ' O ' HD12 ' A' ' 168' ' ' ILE . 19.2 m-20 -88.55 -8.55 54.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.669 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -70.75 113.88 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.813 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -98.64 135.49 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -75.67 134.01 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.69 -19.85 13.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 60.7 p -56.43 -22.69 33.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -92.06 -27.44 17.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -112.31 110.07 20.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -138.85 -51.5 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.67 172.48 10.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 35.4 m -54.64 174.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 pp -145.8 177.87 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -156.37 136.92 13.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -86.47 153.73 21.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -126.67 134.06 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.4 ttm . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.797 0.332 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.71 151.86 5.51 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.7 p -139.92 167.14 22.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.824 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -175.59 153.27 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -175.46 122.67 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -147.11 170.99 16.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -152.24 -177.03 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -125.67 138.02 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -130.77 -39.91 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -52.09 151.39 3.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.94 147.21 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -105.87 -26.79 11.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -160.14 173.84 36.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -105.18 131.94 52.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -140.15 170.22 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.77 -179.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.656 ' O ' HG22 ' A' ' 114' ' ' THR . . . -157.47 -179.15 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 p -130.02 154.11 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -11.48 59.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.0 p -53.86 -23.9 14.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.59 40.22 1.37 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -125.98 99.9 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.0 t30 56.67 46.25 20.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CD2' HG21 ' A' ' 114' ' ' THR . 21.4 t80 -100.1 141.41 32.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -128.2 96.83 4.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.829 HG23 HD11 ' A' ' 34' ' ' ILE . 8.3 p -79.7 -15.07 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -68.8 -11.62 60.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.78 -55.34 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.829 HD11 HG23 ' A' ' 31' ' ' VAL . 25.8 pt -55.13 -24.4 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.76 130.08 45.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.52 -178.82 16.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.54 119.67 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.803 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.8 m95 -106.82 179.34 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.24 143.14 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.51 99.73 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.135 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.581 ' O ' HD13 ' A' ' 42' ' ' ILE . 6.8 mm -68.08 -68.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.581 HD13 ' O ' ' A' ' 41' ' ' ILE . 28.2 mm -138.33 147.6 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.627 HD12 ' HA2' ' A' ' 137' ' ' GLY . 6.3 tp -120.17 132.18 55.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.628 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -136.82 129.91 31.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.484 ' OG ' HD12 ' A' ' 51' ' ' ILE . 86.8 p -162.46 148.06 12.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 18.1 t0 -68.93 80.12 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.553 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.73 74.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.774 ' HD2' HD11 ' A' ' 168' ' ' ILE . 16.0 mmm-85 -54.84 -29.81 56.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.5 -6.37 46.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -50.2 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.823 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -94.0 40.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.4 -173.66 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -50.49 121.94 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 60.41 35.45 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.63 -160.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -118.79 -28.82 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.56 ' CD2' HD13 ' A' ' 135' ' ' LEU . 3.3 m-85 -96.98 -16.38 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.788 ' HG2' HD11 ' A' ' 170' ' ' LEU . 0.1 OUTLIER -72.47 78.39 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.695 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -132.16 154.43 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.84 159.41 28.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.626 HD23 ' HB3' ' A' ' 38' ' ' TRP . 48.7 tp -102.8 152.14 21.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -108.72 -172.78 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -81.2 108.26 14.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.803 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.5 mt -64.19 139.73 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -105.66 99.62 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.542 ' CG1' HG22 ' A' ' 31' ' ' VAL . 19.6 m -65.48 122.35 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.529 HD11 HG23 ' A' ' 72' ' ' VAL . 13.3 mt -109.86 -167.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -58.67 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -127.54 -19.2 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -108.75 -179.4 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.49 122.8 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.529 HG23 HD11 ' A' ' 67' ' ' LEU . 43.4 t -79.97 148.34 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.473 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.6 pt? -149.66 134.76 18.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -114.93 151.82 33.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.519 ' HB3' HD22 ' A' ' 59' ' ' LEU . 95.8 m-85 -128.78 172.48 11.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -124.64 114.58 19.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.695 ' CG2' HD23 ' A' ' 59' ' ' LEU . 14.5 p -127.14 157.28 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -105.98 125.77 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 -114.79 118.39 33.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 63.91 46.48 3.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 59.17 26.08 14.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.436 ' O ' HG12 ' A' ' 78' ' ' VAL . 2.4 tt0 -132.33 141.02 48.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.01 149.06 6.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.67 178.49 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -160.62 145.59 14.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.685 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -109.38 -179.45 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.4 p -127.52 128.7 46.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.685 ' CE ' HD12 ' A' ' 86' ' ' LEU . 17.9 mmt -129.1 157.25 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 89' ' ' VAL . 2.6 p -150.31 100.4 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.59 124.29 30.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -122.4 164.67 17.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.24 155.6 39.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.3 p -142.04 171.35 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -57.64 -23.57 51.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -60.46 178.58 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.2 108.52 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.62 29.01 73.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.551 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.687 ' HA ' HG22 ' A' ' 110' ' ' THR . 11.5 tt0 -127.98 105.37 8.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -79.61 169.98 17.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.74 127.82 37.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -116.92 170.45 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.8 m -104.01 91.65 4.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.08 172.39 6.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -50.34 -26.42 4.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.93 169.5 27.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -49.88 120.93 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.52 170.61 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.7 135.21 20.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.836 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.1 t80 -104.84 135.97 45.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.687 HG22 ' HA ' ' A' ' 98' ' ' GLU . 15.6 p -142.21 176.66 8.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 121' ' ' MET . 34.6 mt -138.96 95.46 9.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.67 -48.64 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 108.96 15.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.3 t -105.5 88.43 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.08 51.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.65 -33.17 1.72 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -51.54 -42.29 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -120.64 -70.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CD1' HG23 ' A' ' 149' ' ' ILE . 42.7 p90 -137.2 131.21 32.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 114' ' ' THR . 20.3 tp -92.38 150.29 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.52 ' O ' HG23 ' A' ' 111' ' ' ILE . 4.8 mmm -129.86 131.03 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.99 138.07 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.526 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.8 t-160 -120.37 112.93 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.836 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.7 tt -126.82 133.41 50.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.526 HD11 ' CE1' ' A' ' 123' ' ' HIS . 11.0 mt -117.81 135.26 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.49 119.13 33.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -111.34 99.77 8.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -147.6 159.87 43.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 63.94 34.71 11.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.25 19.35 63.97 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -149.32 157.15 43.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.8 t -144.42 159.94 41.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.511 ' HE2' HD12 ' A' ' 135' ' ' LEU . 0.8 OUTLIER -147.58 152.23 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.873 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -95.59 117.47 30.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 57' ' ' PHE . 4.9 tt -116.1 137.51 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.11 108.98 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.627 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -90.29 120.64 5.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 139' ' ' TYR . 3.7 tp -93.19 121.33 34.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.501 ' N ' HD12 ' A' ' 138' ' ' LEU . 19.1 m-85 -114.2 160.09 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.76 150.29 22.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -50.32 -31.02 13.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 0.0 110.816 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -105.71 161.23 23.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.557 0.694 . . . . 0.0 110.914 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.4 Cg_endo -69.75 -6.62 19.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -149.2 142.11 24.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.577 HD12 HG21 ' A' ' 41' ' ' ILE . 24.9 mt -108.95 141.2 41.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.2 t -65.47 179.64 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.5 m -79.26 -6.04 55.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.07 -32.62 17.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.577 HG22 HD13 ' A' ' 145' ' ' LEU . 84.8 mt -90.74 -47.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -31.05 43.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.84 -31.48 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -57.59 -44.22 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 9.0 t80 -65.1 -37.31 87.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.697 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -64.53 -18.41 64.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -81.17 -24.6 37.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 13.6 tp -90.31 -39.37 12.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 13.7 p -52.88 -34.59 55.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -70.94 -30.57 66.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -76.09 -24.4 55.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -93.26 6.65 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.31 -17.22 55.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.2 mt -73.0 99.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.34 148.34 3.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.697 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 27.6 tpt85 -58.57 -22.39 55.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.68 ' HB2' HD12 ' A' ' 163' ' ' LEU . 4.4 mm-40 -76.4 -25.62 54.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -71.49 -9.73 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.628 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -73.87 122.41 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.823 HD13 HG13 ' A' ' 51' ' ' ILE . 1.4 mp -112.33 114.92 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.546 ' HA ' HD12 ' A' ' 42' ' ' ILE . 5.7 p-10 -71.24 131.91 44.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.788 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.0 mm? -100.78 -24.24 14.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 19.6 p -51.41 -38.5 53.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -103.84 29.99 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.681 ' HB1' HH21 ' A' ' 58' ' ' ARG . . . -152.76 115.74 4.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -172.16 112.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -150.12 150.52 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 37.6 t -108.51 -26.31 10.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 21.3 mt -91.54 167.93 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -114.33 122.52 46.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.83 170.19 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.062 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 66.73 12.82 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.458 -0.026 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.25 166.68 38.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -139.99 -179.99 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -143.45 -176.04 4.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -136.97 -178.23 5.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -161.02 173.12 15.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -151.82 -176.93 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.805 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -126.27 159.29 33.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -136.79 -54.69 0.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -52.15 155.86 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.04 -78.23 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -149.75 -177.29 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.84 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.57 132.65 6.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -125.0 115.25 20.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -140.26 168.72 19.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.77 179.36 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.662 ' O ' HG22 ' A' ' 114' ' ' THR . . . -170.29 -178.82 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -132.0 156.68 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -10.59 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.2 p -54.28 -24.55 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.5 40.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -127.41 100.28 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 t30 56.1 47.44 19.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CD2' HG21 ' A' ' 114' ' ' THR . 29.3 t80 -100.1 141.99 32.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -127.77 107.12 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.78 HG23 HD11 ' A' ' 34' ' ' ILE . 9.2 p -89.61 -12.69 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -71.56 -14.9 62.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -86.01 -55.61 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.78 HD11 HG23 ' A' ' 31' ' ' VAL . 22.0 pt -54.74 -25.08 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -56.87 142.08 42.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.14 -174.74 15.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.4 124.29 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.811 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.4 m95 -109.4 -177.68 3.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -162.79 144.4 10.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 99.53 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.725 HG21 HD12 ' A' ' 145' ' ' LEU . 8.0 mm -67.2 -67.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.571 HD13 ' O ' ' A' ' 41' ' ' ILE . 31.0 mm -139.53 145.81 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.716 HD12 ' HA2' ' A' ' 137' ' ' GLY . 4.5 tp -118.26 119.82 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -123.64 129.79 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.424 ' HB3' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -165.3 144.21 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.1 p30 -67.94 81.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.1 71.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.808 ' HD2' HD11 ' A' ' 168' ' ' ILE . 3.1 mmm180 -54.09 -30.57 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -72.96 -7.54 51.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.97 -50.41 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.792 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -92.89 40.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.828 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.63 -173.18 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.56 119.97 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 67.86 29.55 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.24 -163.52 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.7 -22.45 8.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -108.47 -14.82 14.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.92 60.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.677 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -116.89 149.57 39.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.5 159.54 33.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 38' ' ' TRP . 42.9 tp -103.09 151.76 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.64 -171.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -80.82 108.21 14.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.811 HD12 ' CD1' ' A' ' 38' ' ' TRP . 16.4 mt -66.17 140.26 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -105.87 126.72 52.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.1 t -86.12 118.19 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 67' ' ' LEU . 2.8 mm? -104.17 -175.54 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -48.02 -53.95 14.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -140.53 6.85 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.0 m -125.6 -179.65 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -147.23 121.78 9.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.465 HG23 HD21 ' A' ' 67' ' ' LEU . 84.5 t -89.08 115.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.738 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.2 pt? -115.4 134.44 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.66 152.85 33.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.738 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 72.4 m-85 -129.92 -173.38 3.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -143.01 122.27 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.677 ' CG2' HD23 ' A' ' 59' ' ' LEU . 2.1 p -137.67 158.4 44.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.0 m -110.82 161.35 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -146.18 111.49 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 63.73 49.5 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 62.37 20.58 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -117.65 140.7 49.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.7 m -71.88 139.07 48.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.23 179.19 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -160.46 141.32 11.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -104.32 178.56 4.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 p -141.71 116.12 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.6 mmt -125.2 164.98 19.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 89' ' ' VAL . 5.2 p -150.28 119.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.9 110.61 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.82 152.1 23.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -62.2 167.29 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.3 p -150.71 -179.81 7.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -78.21 -6.19 54.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -75.75 178.0 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.99 116.9 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.45 22.12 50.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.403 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.706 ' HA ' HG22 ' A' ' 110' ' ' THR . 8.0 tt0 -127.08 103.37 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -82.52 159.96 22.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.5 t -119.24 124.17 46.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.4 p -115.32 128.09 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.3 m -64.5 92.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.41 172.87 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.59 -27.46 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.01 164.18 27.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.523 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -49.73 120.95 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.686 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -158.27 169.93 23.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.97 126.9 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.832 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.6 t80 -99.41 131.04 45.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.706 HG22 ' HA ' ' A' ' 98' ' ' GLU . 12.4 p -136.89 175.15 9.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 121' ' ' MET . 47.7 mt -139.0 96.61 9.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.75 -48.66 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.22 . . . . 0.0 112.365 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.98 109.19 15.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.0 t -104.57 89.1 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.52 50.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.51 -33.36 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -47.33 -45.56 24.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.776 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -121.87 -69.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.542 ' CD1' HG23 ' A' ' 149' ' ' ILE . 26.2 p90 -133.72 131.0 38.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 114' ' ' THR . 21.0 tp -92.7 150.75 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.672 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.8 ttt -126.8 136.45 52.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.72 140.73 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.561 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.5 t-160 -126.7 112.41 15.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.832 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.8 tt -122.36 139.33 53.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.561 HD11 ' CE1' ' A' ' 123' ' ' HIS . 19.6 mt -125.62 131.63 71.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -121.8 133.67 54.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -120.55 99.72 6.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -137.41 156.43 48.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 60.47 28.06 17.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.25 6.21 68.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -129.32 151.19 50.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.982 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.6 t -141.98 160.11 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -150.96 152.73 33.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -89.75 108.25 19.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 136' ' ' MET . 3.3 tm? -97.12 139.64 32.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.656 ' N ' HD13 ' A' ' 135' ' ' LEU . 4.7 ttm -144.81 114.19 7.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.716 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -105.44 109.55 3.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.667 HD22 ' HB2' ' A' ' 153' ' ' PHE . 7.0 tp -80.56 120.58 24.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.478 ' CE1' HD22 ' A' ' 61' ' ' LEU . 17.7 m-85 -112.89 156.2 23.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -144.97 151.27 23.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -53.52 -24.01 12.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.8 OUTLIER -116.66 164.35 18.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 110.873 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.5 Cg_endo -69.79 -4.5 14.18 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.289 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -149.23 146.36 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.725 HD12 HG21 ' A' ' 41' ' ' ILE . 17.3 mt -112.83 149.3 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.2 t -76.07 163.25 27.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.6 m -62.71 -15.89 54.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.53 -32.77 28.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.553 HG22 HD13 ' A' ' 145' ' ' LEU . 87.8 mt -91.0 -48.24 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -53.3 -31.28 43.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.56 -32.06 69.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -58.55 -35.34 72.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.667 ' HB2' HD22 ' A' ' 138' ' ' LEU . 14.8 t80 -70.35 -28.33 65.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.75 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -77.21 -18.01 58.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -80.21 -25.98 39.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 53.1 tp -91.12 -37.76 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 11.9 p -51.76 -35.27 43.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -72.04 -33.89 68.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.05 -14.76 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -102.01 7.83 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.19 -10.21 69.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 60.3 mt -82.12 99.35 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.183 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.71 148.76 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.75 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 8.5 tpt180 -59.61 -21.58 60.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.684 ' HB2' HD12 ' A' ' 163' ' ' LEU . 1.9 mm-40 -75.9 -21.5 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.411 ' O ' HD12 ' A' ' 168' ' ' ILE . 55.9 m-20 -78.11 -4.47 47.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.5 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.5 mp -75.66 117.14 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.808 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -107.09 126.02 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.546 ' HA ' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -77.39 129.64 36.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.03 -23.78 13.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 3.7 p -52.92 -29.3 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -111.46 30.02 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -146.14 116.38 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -173.97 123.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -175.75 154.58 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' CYS . . . . . 0.736 ' HB3' HD23 ' A' ' 177' ' ' LEU . 0.1 OUTLIER -87.52 -26.91 22.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.736 HD23 ' HB3' ' A' ' 176' ' ' CYS . 0.2 OUTLIER -154.94 179.06 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -128.92 156.96 42.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -53.92 169.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.05 177.5 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 30.7 mtm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.69 -158.8 8.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 p -132.97 166.15 23.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -134.99 158.75 43.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -167.95 166.11 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -121.21 99.71 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -113.02 26.18 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -116.04 123.61 48.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -98.84 -58.64 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -151.73 167.1 29.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.5 ' H ' HD12 ' A' ' 16' ' ' ILE . 4.4 mp -82.82 147.86 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -103.46 -24.92 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.422 ' H ' HG22 ' A' ' 16' ' ' ILE . . . -69.25 -150.41 0.38 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -170.18 137.51 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -118.85 170.02 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -69.78 -179.85 1.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.658 ' O ' HG22 ' A' ' 114' ' ' THR . . . -166.09 -179.53 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -130.95 160.02 35.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -68.39 -12.01 60.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p -55.78 -22.79 26.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.179 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.42 40.0 1.42 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.55 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 5.4 ttm180 -124.47 99.8 6.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.3 38.96 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CD2' HG21 ' A' ' 114' ' ' THR . 24.2 t80 -95.58 132.31 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -122.75 96.56 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.949 HG23 HD11 ' A' ' 34' ' ' ILE . 7.4 p -76.43 -16.1 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -66.23 -18.18 65.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -85.23 -57.37 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.949 HD11 HG23 ' A' ' 31' ' ' VAL . 30.0 pt -53.52 -26.28 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -55.34 148.57 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.76 -171.27 14.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.56 120.07 11.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.822 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.7 m95 -101.42 -177.06 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -162.19 142.72 10.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 99.11 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.774 HG21 HD12 ' A' ' 145' ' ' LEU . 11.5 mm -66.87 -68.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.613 HG12 HG22 ' A' ' 41' ' ' ILE . 27.2 mm -141.06 148.07 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.658 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.3 tp -119.11 127.82 53.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.696 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -136.05 129.61 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.425 ' HB2' ' HA ' ' A' ' 135' ' ' LEU . 33.1 t -171.41 149.6 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 21.4 t0 -69.65 81.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.525 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 169.19 65.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.591 ' HD2' HD11 ' A' ' 168' ' ' ILE . 7.4 mmm180 -43.01 -48.1 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -51.89 -38.99 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -47.59 70.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.625 ' CG2' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -108.83 51.64 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.075 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -176.54 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -52.21 -30.32 26.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -131.39 65.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.96 -165.09 19.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -119.1 -30.62 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -86.92 -14.18 42.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.531 ' NH2' ' HB1' ' A' ' 173' ' ' ALA . 0.1 OUTLIER -77.71 59.52 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -118.53 153.59 33.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -73.5 147.22 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 139' ' ' TYR . 29.6 tp -94.16 150.41 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.54 -171.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -78.71 126.48 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.822 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.7 mt -79.75 139.07 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -104.2 99.39 9.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.562 HG22 HG22 ' A' ' 31' ' ' VAL . 86.4 t -63.29 121.31 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.504 HD11 HG23 ' A' ' 72' ' ' VAL . 11.0 mt -109.78 -168.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -52.88 -53.08 54.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -134.75 -20.12 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 m -108.23 -179.11 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -153.87 127.23 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.504 HG23 HD11 ' A' ' 67' ' ' LEU . 48.0 t -82.74 148.08 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.041 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.747 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -144.11 137.23 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -117.75 151.87 36.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.747 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 71.6 m-85 -129.52 170.22 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -118.17 128.35 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.568 ' CG2' HD23 ' A' ' 59' ' ' LEU . 36.6 p -150.01 142.81 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -99.95 160.65 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -150.08 121.92 8.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 62.79 45.53 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.415 ' OE2' HD13 ' A' ' 177' ' ' LEU . 26.7 mm-40 60.71 24.54 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.64 143.37 51.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 31.9 m -70.54 144.79 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.96 179.47 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -160.81 144.06 13.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.531 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -105.52 177.53 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.5 p -130.12 135.87 48.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.442 ' CE ' HD12 ' A' ' 86' ' ' LEU . 15.2 mmt -138.16 157.26 46.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.4 p -149.94 113.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.699 ' HB1' ' CB ' ' A' ' 99' ' ' TYR . . . -88.4 100.87 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -93.86 141.77 28.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.8 163.53 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.537 HG21 ' HB3' ' A' ' 100' ' ' SER . 39.7 p -148.54 179.87 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.06 -18.21 59.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -61.0 -171.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.06 99.73 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.3 25.77 67.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -118.08 117.15 28.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.699 ' CB ' ' HB1' ' A' ' 90' ' ' ALA . 94.5 m-85 -79.78 170.34 16.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.537 ' HB3' HG21 ' A' ' 93' ' ' THR . 16.2 p -126.1 94.61 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.92 148.68 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.4 m -99.99 93.19 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.93 173.05 6.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -48.39 -29.37 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.64 -91.54 1.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -160.22 133.27 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.39 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.718 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.94 166.9 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.0 128.52 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.739 ' HB2' HD12 ' A' ' 124' ' ' LEU . 5.2 t80 -98.37 141.75 30.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.7 p -146.12 177.84 8.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 112' ' ' PRO . 73.1 mt -141.04 91.04 9.08 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.8 Cg_endo -69.79 -48.45 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -117.64 108.48 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.672 ' HA ' HD12 ' A' ' 120' ' ' LEU . 2.2 t -104.35 89.62 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.85 50.82 0.99 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -44.45 -34.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.45 -42.29 54.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -120.46 -70.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.604 ' CD2' HG23 ' A' ' 149' ' ' ILE . 29.4 p90 -139.23 132.44 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.3 tp -92.97 147.45 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 47.5 mmm -125.48 137.35 53.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -135.96 141.07 44.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.51 ' CE1' HD11 ' A' ' 125' ' ' ILE . 7.7 t-160 -125.2 103.9 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.739 HD12 ' HB2' ' A' ' 109' ' ' PHE . 2.8 tt -114.17 130.53 56.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.51 HD11 ' CE1' ' A' ' 123' ' ' HIS . 54.3 mt -112.64 140.31 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -129.69 126.0 37.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.94 108.0 15.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -157.5 157.47 33.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.9 t70 65.43 27.75 11.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.09 10.4 73.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -139.43 148.66 43.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -138.84 159.98 40.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.7 159.44 38.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.406 ' HA ' HG12 ' A' ' 125' ' ' ILE . 8.1 pt20 -104.34 106.72 17.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.674 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -90.15 139.86 30.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.674 ' N ' HD13 ' A' ' 135' ' ' LEU . 17.4 mtt -135.6 108.84 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.658 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -99.88 117.56 5.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.3 tt -79.56 125.14 29.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.596 ' N ' HD23 ' A' ' 138' ' ' LEU . 15.1 m-85 -119.01 149.86 40.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -147.81 153.89 25.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -50.74 -30.25 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.7 OUTLIER -111.14 161.37 25.39 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.9 Cg_endo -69.75 -6.08 17.74 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.35 139.12 26.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.774 HD12 HG21 ' A' ' 41' ' ' ILE . 17.8 mt -109.17 147.0 33.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.4 t -69.78 179.97 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.9 m -81.47 -6.64 59.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.26 -31.49 16.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 119' ' ' PHE . 92.6 mt -90.42 -44.37 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -53.79 -30.91 46.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.07 -30.37 63.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -61.55 -36.19 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.696 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 5.9 t80 -71.74 -41.77 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.02 -25.51 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -65.58 -51.86 56.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.25 -28.82 70.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 73.2 m -57.95 -70.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.81 -28.59 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -75.66 -21.82 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -102.38 7.89 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 97.52 -11.64 64.93 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 22.9 mt -84.28 97.86 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.917 0.389 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.67 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.81 148.76 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.668 ' HA ' HD13 ' A' ' 167' ' ' ILE . 13.5 tpt180 -58.84 -25.12 62.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.67 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.9 mt-10 -74.46 -20.35 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.438 ' O ' HD12 ' A' ' 168' ' ' ILE . 17.2 m-20 -83.18 2.09 37.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.668 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -79.12 109.6 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.591 HD11 ' HD2' ' A' ' 48' ' ' ARG . 2.1 mp -99.98 129.59 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.413 ' HA ' HD12 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -85.08 136.51 33.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.473 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.6 mm? -109.06 -16.4 14.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 15.7 t -53.36 -25.17 14.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -91.97 -29.99 16.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.531 ' HB1' ' NH2' ' A' ' 58' ' ' ARG . . . -111.12 109.63 19.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -140.58 -41.99 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -51.08 164.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.41 -54.26 28.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.415 HD13 ' OE2' ' A' ' 81' ' ' GLU . 4.5 pp -173.0 -178.83 1.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -149.34 160.4 43.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -72.27 170.47 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 174.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.885 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.5 mtm . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.04 144.95 9.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -140.03 167.41 22.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.8 p -174.09 -178.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -108.7 -31.86 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 63.43 57.1 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -105.68 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -169.51 133.75 1.36 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -151.76 -173.03 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.79 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -85.82 164.08 17.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.8 mp -141.36 147.01 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -162.89 124.34 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.1 88.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.402 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -162.28 -179.94 7.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -51.88 170.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -69.45 -179.95 1.85 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.695 ' O ' HG22 ' A' ' 114' ' ' THR . . . -153.79 -178.87 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -128.86 156.01 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 p -68.79 -10.63 57.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p -51.44 -26.46 8.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.197 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.63 40.02 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.575 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -131.33 100.67 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 t30 63.4 41.41 7.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CD2' HG21 ' A' ' 114' ' ' THR . 25.2 t80 -99.91 143.0 30.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -130.12 95.54 3.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.708 HG23 HD11 ' A' ' 34' ' ' ILE . 9.2 p -78.93 -9.31 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.38 -11.11 59.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -89.34 -52.78 4.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.708 HD11 HG23 ' A' ' 31' ' ' VAL . 21.2 pt -55.91 -23.48 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -61.13 129.18 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.01 179.21 15.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -51.73 119.84 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.834 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.833 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.6 m95 -106.18 -178.89 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -163.03 144.17 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -95.04 99.93 11.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.707 HG21 HD12 ' A' ' 145' ' ' LEU . 6.3 mm -68.54 -68.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.699 HG23 ' HA ' ' A' ' 169' ' ' ASP . 21.7 mm -140.36 153.5 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.585 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.0 tp -119.99 133.15 55.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.481 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -137.95 131.75 31.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.496 ' OG ' HD12 ' A' ' 51' ' ' ILE . 63.6 p -170.32 147.96 3.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 17.2 t0 -68.11 80.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.589 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.19 74.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.641 ' HD2' HD11 ' A' ' 168' ' ' ILE . 8.5 mmm-85 -55.1 -28.45 52.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -75.24 -6.28 48.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -100.51 -46.81 5.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -100.58 44.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.38 -169.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.45 -56.48 6.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -100.78 58.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.93 176.3 37.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -118.25 -18.76 9.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -98.3 -19.71 17.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.41 ' HA ' HD22 ' A' ' 43' ' ' LEU . 31.8 ttp85 -76.15 67.43 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.806 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.607 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -120.34 154.05 35.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.97 155.84 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.565 HD23 ' HB3' ' A' ' 38' ' ' TRP . 44.3 tp -102.88 152.1 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.7 -172.56 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -82.08 108.35 15.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.833 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.5 mt -61.63 139.2 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.38 100.47 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.63 108.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.619 HD11 HG23 ' A' ' 72' ' ' VAL . 38.6 mt -94.68 -168.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -56.28 13.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -137.73 7.83 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.54 ' HB2' HD12 ' A' ' 67' ' ' LEU . 2.3 m -126.99 -178.94 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -149.04 118.77 7.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.619 HG23 HD11 ' A' ' 67' ' ' LEU . 58.1 t -86.0 119.49 34.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.767 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -119.66 135.39 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.83 153.04 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.767 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 86.9 m-85 -132.21 169.16 16.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -124.17 128.36 49.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.607 ' CG2' HD23 ' A' ' 59' ' ' LEU . 19.8 p -150.09 148.9 29.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -103.71 161.29 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -148.45 121.74 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 58.59 48.45 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 58.99 32.57 22.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -134.64 120.82 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 73.6 m -54.87 145.48 19.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.45 -179.3 7.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.798 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.87 137.46 9.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.555 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -99.92 178.94 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 p -139.49 123.39 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.555 ' CE ' HD12 ' A' ' 86' ' ' LEU . 16.5 mmt -128.83 158.99 37.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 72' ' ' VAL . 83.4 t -147.37 115.81 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.74 117.07 25.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -105.66 162.01 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -71.65 164.56 25.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.586 HG21 ' HB3' ' A' ' 100' ' ' SER . 48.6 p -150.81 -179.62 7.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -82.47 0.67 41.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -174.17 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.78 99.1 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.38 14.36 53.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.533 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.696 ' HA ' HG22 ' A' ' 110' ' ' THR . 7.5 tt0 -109.75 107.51 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.515 ' CE2' HD21 ' A' ' 71' ' ' LEU . 6.2 m-85 -80.02 160.82 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.586 ' HB3' HG21 ' A' ' 93' ' ' THR . 89.5 p -120.43 116.32 25.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.804 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.94 135.4 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.5 m -73.0 92.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.08 172.67 6.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -49.35 -26.87 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.96 163.09 28.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.552 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -49.84 119.19 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.674 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -156.86 165.5 36.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.39 126.74 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.835 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.6 t80 -98.71 129.42 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.696 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.2 p -135.71 175.82 9.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 121' ' ' MET . 58.6 mt -140.88 92.71 8.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.702 . . . . 0.0 111.147 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.7 Cg_endo -69.72 -48.86 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.04 108.8 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.2 t -107.07 88.63 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.74 49.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -43.94 -31.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -44.59 -49.54 10.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -123.14 -64.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.527 ' CD2' HG23 ' A' ' 149' ' ' ILE . 28.4 p90 -132.21 130.34 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 114' ' ' THR . 17.5 tp -93.27 147.98 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.592 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.5 mtm -126.2 137.98 53.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.418 ' HB1' ' HE1' ' A' ' 109' ' ' PHE . . . -134.9 160.12 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.606 ' CE1' HD11 ' A' ' 125' ' ' ILE . 13.4 t-160 -142.65 109.3 5.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.835 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.1 tt -120.8 132.82 55.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.606 HD11 ' CE1' ' A' ' 123' ' ' HIS . 25.4 mt -118.76 131.98 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -122.96 128.68 50.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -115.45 99.19 7.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -138.47 154.92 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 63.36 23.25 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.69 1.35 83.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -125.02 149.51 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.61 159.79 41.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.174 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -153.33 157.44 40.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -95.49 109.65 21.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -95.78 140.28 30.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' MET . . . . . 0.675 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -143.08 112.23 6.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.585 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -104.03 112.35 4.12 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.406 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 139' ' ' TYR . 9.0 tp -79.76 132.79 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.559 ' N ' HD12 ' A' ' 138' ' ' LEU . 17.1 m-85 -127.19 157.22 40.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -148.99 152.97 24.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.462 ' HG2' ' HG2' ' A' ' 142' ' ' GLU . 0.1 OUTLIER -55.97 -23.77 34.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.462 ' HG2' ' HG2' ' A' ' 141' ' ' ARG . 0.8 OUTLIER -106.93 162.63 19.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.3 Cg_endo -69.81 -4.78 14.75 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -159.03 147.84 18.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.707 HD12 HG21 ' A' ' 41' ' ' ILE . 46.7 mt -108.98 157.82 18.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.0 t -85.86 -179.6 6.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.3 t -77.03 -4.7 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.7 -36.8 14.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 119' ' ' PHE . 91.7 mt -91.09 -43.32 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -27.75 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.95 -30.86 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -60.24 -31.09 69.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.542 ' HB2' HD22 ' A' ' 138' ' ' LEU . 18.5 t80 -68.9 -37.35 78.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ALA . . . . . 0.53 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -65.91 -36.46 83.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -50.59 -31.07 14.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.463 HD22 ' SD ' ' A' ' 121' ' ' MET . 4.5 tp -91.98 -26.48 18.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.6 -37.92 89.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.61 -25.65 57.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -79.15 -33.15 44.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -84.17 0.31 49.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 98.92 -20.36 50.64 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 47.9 mt -67.13 96.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.088 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -47.22 147.7 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.53 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 1.1 mmm180 -61.25 -18.94 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.642 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.7 mm-40 -79.42 -13.43 59.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ASN . . . . . 0.443 ' O ' HD12 ' A' ' 168' ' ' ILE . 8.3 m-20 -85.9 -9.29 57.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.481 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.4 mp -74.01 113.74 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.641 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.5 mp -105.87 111.87 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.699 ' HA ' HG23 ' A' ' 42' ' ' ILE . 15.0 m-20 -84.76 116.66 23.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.5 28.44 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 34.1 p -52.14 -40.04 60.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -120.32 30.57 6.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -130.46 -177.84 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.99 119.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -165.81 178.86 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.34 82.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 80.0 mt -152.63 -176.87 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -146.3 117.09 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.98 169.97 10.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.65 -75.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.919 0.39 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.587 ' O ' HG22 ' A' ' 114' ' ' THR . . . -164.2 -179.48 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.126 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -136.49 166.61 23.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -72.78 -8.06 53.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.8 p -54.25 -25.11 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.31 39.88 1.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -128.16 99.9 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.6 t30 55.92 48.51 17.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CD2' HG21 ' A' ' 114' ' ' THR . 39.2 t80 -99.15 135.07 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -123.83 110.57 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.824 HG23 HD11 ' A' ' 34' ' ' ILE . 7.1 p -90.17 -13.71 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -70.62 -14.16 62.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -87.52 -55.45 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.824 HD11 HG23 ' A' ' 31' ' ' VAL . 24.1 pt -54.58 -25.14 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -58.5 127.3 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.31 -175.64 19.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' N ' HE21 ' A' ' 63' ' ' GLN . 5.5 mm-40 -56.65 119.99 7.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.796 0.332 . . . . 0.0 110.926 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.768 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.7 m95 -108.24 176.75 5.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -163.05 146.96 11.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.44 102.54 14.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.629 HG21 HD12 ' A' ' 145' ' ' LEU . 6.8 mm -70.39 -67.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.604 HD13 ' O ' ' A' ' 41' ' ' ILE . 27.4 mm -136.86 144.34 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -113.41 119.15 36.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.567 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -125.83 130.0 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.601 ' HB2' HD22 ' A' ' 135' ' ' LEU . 36.5 t -168.65 146.84 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 9.1 p30 -68.69 81.41 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.519 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.52 71.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.825 ' HD2' HD11 ' A' ' 168' ' ' ILE . 4.1 mmm180 -54.67 -30.3 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -73.71 -6.43 46.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.67 -49.85 4.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.808 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -94.87 40.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -173.93 2.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -51.01 118.66 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 60.06 41.93 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.3 -144.96 0.26 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -124.55 -36.7 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -94.66 -7.7 40.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -74.78 72.65 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.629 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -127.83 155.75 43.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.45 156.78 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 38' ' ' TRP . 44.2 tp -102.8 150.67 23.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.97 -172.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.428 HE21 ' N ' ' A' ' 37' ' ' GLU . 5.9 tt0 -80.85 108.0 14.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.768 HD12 ' CD1' ' A' ' 38' ' ' TRP . 3.8 mt -62.44 139.89 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -106.33 99.42 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.505 HG22 HG22 ' A' ' 31' ' ' VAL . 84.8 t -64.22 127.15 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 72' ' ' VAL . 13.9 mt -115.15 -167.37 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.17 -53.59 51.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.81 -20.51 2.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.422 ' HB2' HD12 ' A' ' 67' ' ' LEU . 9.3 m -108.15 -179.29 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.84 124.18 6.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.443 HG23 HD11 ' A' ' 67' ' ' LEU . 51.2 t -79.76 146.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.522 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -149.35 135.54 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -117.57 152.69 34.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.554 ' HB3' HD22 ' A' ' 59' ' ' LEU . 93.6 m-85 -129.96 171.09 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -116.58 112.32 21.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.629 ' CG2' HD23 ' A' ' 59' ' ' LEU . 69.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.889 0.375 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -111.29 174.83 5.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.8 p -124.42 132.2 53.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -132.94 168.78 17.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.6 t -150.29 100.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.19 117.59 20.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -114.14 178.7 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -90.28 169.7 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 100' ' ' SER . 47.9 p -151.45 179.93 7.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.174 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.66 -19.77 65.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -58.54 -177.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.14 104.05 12.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.22 30.65 78.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 110' ' ' THR . 7.7 tt0 -126.86 109.83 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 110.958 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -80.63 159.48 25.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.531 ' HB3' HG21 ' A' ' 93' ' ' THR . 76.6 p -119.36 115.53 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.51 135.76 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.6 m -72.97 92.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.84 172.7 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -48.62 -28.15 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.77 164.27 27.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -49.74 118.85 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.669 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -155.54 169.45 24.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.55 125.41 16.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.847 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.3 t80 -99.11 128.14 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 98' ' ' GLU . 5.3 p -135.23 -179.92 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 121' ' ' MET . 21.8 mt -139.21 95.5 9.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.069 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -48.87 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.748 2.299 . . . . 0.0 112.353 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.402 ' HE3' HD12 ' A' ' 156' ' ' LEU . 0.1 OUTLIER -118.25 108.38 15.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.638 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -107.02 89.62 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.2 52.85 0.78 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.65 -32.92 1.63 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.28 -43.77 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -120.59 -70.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.603 ' CD2' HG23 ' A' ' 149' ' ' ILE . 24.6 p90 -136.69 133.5 36.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 114' ' ' THR . 23.4 tp -91.65 150.71 21.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.564 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.4 mtm -132.09 136.12 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -131.37 152.31 50.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.582 ' CE1' HD11 ' A' ' 125' ' ' ILE . 12.6 t-160 -134.14 111.97 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.847 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.0 tt -122.18 138.54 54.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.582 HD11 ' CE1' ' A' ' 123' ' ' HIS . 20.5 mt -126.88 130.88 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -121.69 127.06 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -114.55 100.09 8.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.45 153.64 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 61.26 33.37 19.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.99 11.51 58.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -133.85 146.44 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -138.42 160.09 40.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.28 151.18 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.32 107.67 19.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.696 HD13 ' N ' ' A' ' 136' ' ' MET . 3.1 tm? -97.82 139.84 33.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.696 ' N ' HD13 ' A' ' 135' ' ' LEU . 20.0 mtp -144.06 115.34 7.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -105.56 111.94 3.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 139' ' ' TYR . 6.6 tp -79.67 128.32 33.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.495 ' N ' HD12 ' A' ' 138' ' ' LEU . 19.3 m-85 -120.94 159.04 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.59 152.82 24.44 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -50.77 -30.04 13.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.6 OUTLIER -109.33 161.74 22.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.848 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.8 Cg_endo -69.74 -6.84 19.54 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -147.46 141.2 25.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.629 HD12 HG21 ' A' ' 41' ' ' ILE . 25.6 mt -108.81 144.99 35.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.8 t -68.67 -179.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.5 m -80.36 -6.97 58.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -31.21 17.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.603 HG23 ' CD2' ' A' ' 119' ' ' PHE . 91.9 mt -90.88 -45.04 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -56.0 -27.96 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -74.97 -30.27 61.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -57.56 -45.7 84.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 44' ' ' ALA . 9.3 t80 -63.43 -38.85 92.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.591 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -60.78 -18.27 54.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -80.79 -26.56 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.631 ' O ' HD23 ' A' ' 156' ' ' LEU . 3.6 tt -90.72 -35.88 14.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 11.1 p -54.25 -34.39 60.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -73.04 -25.65 61.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.83 -31.01 56.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -87.27 5.54 37.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.28 -10.64 73.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 29.5 mt -77.96 99.49 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.782 0.325 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.16 148.65 2.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.591 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 0.1 OUTLIER -60.43 -21.54 62.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.683 ' HB2' HD12 ' A' ' 163' ' ' LEU . 5.1 mm-40 -75.93 -25.16 55.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.553 ' O ' HD12 ' A' ' 168' ' ' ILE . 35.0 m-20 -72.55 -9.41 58.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.567 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.6 mp -72.32 118.4 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.825 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -106.1 126.52 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.481 ' HA ' HD12 ' A' ' 42' ' ' ILE . 1.7 p30 -78.86 132.37 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.573 ' O ' HG22 ' A' ' 114' ' ' THR . . . -161.66 -179.34 7.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 p -133.31 156.36 47.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 p -69.71 -10.74 59.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.4 p -53.92 -24.28 15.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.59 40.09 1.38 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -129.12 99.93 5.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 t30 59.68 43.79 15.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CD2' HG21 ' A' ' 114' ' ' THR . 30.1 t80 -97.86 142.36 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.05 95.99 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.844 HG23 HD11 ' A' ' 34' ' ' ILE . 7.3 p -77.78 -12.17 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.23 -22.3 62.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -79.24 -53.6 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.844 HD11 HG23 ' A' ' 31' ' ' VAL . 22.5 pt -58.86 -20.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -63.14 125.85 25.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.83 -177.3 18.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.596 ' N ' HE21 ' A' ' 63' ' ' GLN . 56.4 mt-10 -56.02 119.74 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.857 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.814 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.1 m95 -105.58 -178.66 3.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -162.5 148.2 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.0 m -93.53 99.51 11.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.852 HG21 HD12 ' A' ' 145' ' ' LEU . 10.6 mm -68.88 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.667 HG12 HG22 ' A' ' 41' ' ' ILE . 22.0 mm -139.17 150.49 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.674 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.7 tp -122.03 111.85 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.617 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -119.27 130.44 55.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.052 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.509 ' OG ' HD12 ' A' ' 51' ' ' ILE . 37.1 p -168.88 149.68 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.1 p30 -68.88 80.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.596 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.48 73.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.749 ' HD2' HD11 ' A' ' 168' ' ' ILE . 0.9 OUTLIER -55.29 -28.3 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.889 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.07 -5.59 47.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 -47.33 4.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.611 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -100.53 44.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -170.4 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -48.87 -58.72 4.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -96.06 40.28 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.1 176.36 37.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -117.95 -16.34 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -101.51 -13.44 17.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.463 ' HE ' HD13 ' A' ' 170' ' ' LEU . 0.0 OUTLIER -74.2 72.34 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.681 HD22 ' CB ' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -117.75 157.27 26.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -86.22 126.94 34.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.468 HD12 ' H ' ' A' ' 62' ' ' GLU . 44.7 tp -73.4 152.27 40.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -109.45 -171.54 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.596 HE21 ' N ' ' A' ' 37' ' ' GLU . 9.1 tt0 -81.4 107.8 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.814 HD12 ' CD1' ' A' ' 38' ' ' TRP . 6.4 mt -62.84 138.22 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -108.59 101.76 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.432 HG22 HG22 ' A' ' 31' ' ' VAL . 98.7 t -63.99 109.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.639 HD11 HG23 ' A' ' 72' ' ' VAL . 36.3 mt -99.23 -167.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -58.58 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.66 10.94 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -131.05 -179.8 5.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.507 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -147.96 127.01 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.639 HG23 HD11 ' A' ' 67' ' ' LEU . 97.5 t -90.93 113.64 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.575 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.3 pt? -122.75 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -111.9 152.18 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.681 ' CB ' HD22 ' A' ' 59' ' ' LEU . 18.6 m-85 -121.79 167.8 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -120.25 106.61 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.803 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.653 ' CG2' HD23 ' A' ' 59' ' ' LEU . 61.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.604 HD12 ' SD ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -109.76 179.97 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -132.01 122.98 26.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.604 ' SD ' HD12 ' A' ' 86' ' ' LEU . 2.6 mmt -123.65 164.21 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 66.1 t -149.27 109.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.44 109.66 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.44 147.54 26.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -52.6 170.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.5 p -143.8 -179.6 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.46 -21.52 65.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -85.08 172.03 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.16 98.95 8.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.66 -24.63 13.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.542 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.69 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.5 tt0 -91.84 107.99 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.507 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.2 m-85 -89.09 159.0 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.3 p -121.3 118.36 29.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.0 p -108.94 129.94 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.5 m -64.99 91.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.31 172.18 6.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -50.77 -26.31 5.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.53 162.28 27.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -50.18 119.36 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.604 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -154.65 168.29 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.79 123.47 15.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.842 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.2 t80 -99.84 129.98 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.69 HG22 ' HA ' ' A' ' 98' ' ' GLU . 8.9 p -135.2 174.88 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.19 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 121' ' ' MET . 30.2 mt -136.81 90.29 16.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 111.162 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.1 Cg_endo -69.76 -49.08 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.743 2.295 . . . . 0.0 112.279 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.71 108.51 17.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.674 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.7 t -110.66 89.75 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.76 52.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -44.13 -33.11 1.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -49.44 -44.36 45.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -120.99 -69.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.576 ' CD2' HG23 ' A' ' 149' ' ' ILE . 23.6 p90 -136.39 132.73 35.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 114' ' ' THR . 16.1 tp -92.03 147.37 23.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.8 mtm -127.62 140.78 51.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.88 152.12 51.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -132.79 114.7 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.842 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.1 tt -124.91 151.98 44.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.9 mt -141.16 125.51 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -117.81 125.76 51.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -112.06 100.47 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -138.67 157.04 46.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 60.18 28.68 18.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.67 6.69 67.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -130.06 153.11 48.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.966 0.412 . . . . 0.0 110.826 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -142.91 158.12 43.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.196 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.4 ' HE2' HD23 ' A' ' 135' ' ' LEU . 3.1 p90 -150.2 152.44 34.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -91.38 109.1 20.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -97.15 139.91 32.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.665 ' N ' HD13 ' A' ' 135' ' ' LEU . 27.6 mtp -143.03 115.46 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.674 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -105.09 116.02 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.57 127.6 32.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.623 ' N ' HD23 ' A' ' 138' ' ' LEU . 16.9 m-85 -121.46 148.1 44.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.15 151.96 24.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -50.84 -31.17 16.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.2 mt-10 -108.06 161.44 23.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.4 Cg_endo -69.77 -6.45 18.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -147.25 139.43 24.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.852 HD12 HG21 ' A' ' 41' ' ' ILE . 18.1 mt -108.98 147.39 32.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.1 t -70.52 177.62 3.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.0 m -79.49 -5.11 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -90.6 -31.72 16.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 119' ' ' PHE . 84.7 mt -90.66 -44.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -53.92 -30.32 45.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.43 -30.32 63.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -62.37 -37.71 86.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.617 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 9.5 t80 -71.05 -37.48 72.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.44 -21.86 62.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.93 -52.93 37.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.542 HD23 ' CE ' ' A' ' 136' ' ' MET . 9.8 tp -63.92 -26.02 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.85 -70.22 0.19 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.54 -27.39 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.11 -28.99 63.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -93.42 -4.26 51.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 107.66 3.55 34.7 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 45' ' ' SER . 45.6 mt -98.18 96.39 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.38 159.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.768 ' HA ' HD13 ' A' ' 167' ' ' ILE . 3.5 tpp85 -66.79 -29.76 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.635 ' HB2' HD12 ' A' ' 163' ' ' LEU . 19.0 mt-10 -66.82 -13.68 61.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.488 ' O ' HD12 ' A' ' 168' ' ' ILE . 52.1 m-20 -89.37 -8.43 53.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.768 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -74.15 109.38 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.749 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.6 mp -100.13 109.41 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 42' ' ' ILE . 2.2 p30 -87.5 125.64 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.463 HD13 ' HE ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.579 ' O ' HG22 ' A' ' 114' ' ' THR . . . -170.29 -179.34 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -137.5 164.19 29.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 p -69.85 -9.97 56.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 p -53.08 -25.99 14.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 40.26 1.37 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -133.72 102.1 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.12 39.22 10.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.621 ' CD2' HG21 ' A' ' 114' ' ' THR . 31.2 t80 -98.56 131.97 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -125.48 96.4 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.922 HG23 HD11 ' A' ' 34' ' ' ILE . 8.8 p -75.23 -15.68 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.4 -18.58 65.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -83.9 -53.75 5.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.922 HD11 HG23 ' A' ' 31' ' ' VAL . 34.2 pt -58.14 -21.19 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -60.79 125.54 24.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.18 177.7 15.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.517 ' N ' HE21 ' A' ' 63' ' ' GLN . 24.0 mt-10 -51.18 119.64 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.844 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.6 m95 -105.15 178.89 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -162.64 144.5 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.823 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.76 99.84 12.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.614 HG21 HD12 ' A' ' 145' ' ' LEU . 7.6 mm -67.49 -66.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.63 HG23 ' HA ' ' A' ' 169' ' ' ASP . 23.8 mm -140.14 144.14 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.697 HD12 ' HA2' ' A' ' 137' ' ' GLY . 5.1 tp -114.66 137.75 51.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -141.95 129.88 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.515 ' OG ' HD12 ' A' ' 51' ' ' ILE . 94.5 p -164.26 147.72 9.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 44.7 t0 -68.66 79.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.594 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.5 77.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.724 ' HD2' HD11 ' A' ' 168' ' ' ILE . 15.2 mmm-85 -55.25 -27.72 48.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -75.89 -5.67 47.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 -44.4 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.706 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -104.31 46.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.1 -171.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -49.13 -52.18 27.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -105.74 56.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.26 178.93 38.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -116.83 -20.56 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.616 ' CD2' HD13 ' A' ' 135' ' ' LEU . 3.4 m-85 -91.02 -12.33 36.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.73 ' HG2' HD11 ' A' ' 170' ' ' LEU . 7.7 tmm_? -72.82 77.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.59 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -124.87 154.62 40.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.17 131.15 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 62' ' ' GLU . 41.9 tp -72.06 152.06 42.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' H ' HD12 ' A' ' 61' ' ' LEU . 44.0 mm-40 -109.03 -173.29 2.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.517 HE21 ' N ' ' A' ' 37' ' ' GLU . 9.8 tt0 -80.54 107.86 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.844 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.4 mt -62.99 138.23 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -108.28 101.2 10.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.553 HG22 HG22 ' A' ' 31' ' ' VAL . 81.8 t -62.51 116.24 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.534 HD11 HG23 ' A' ' 72' ' ' VAL . 54.7 mt -107.47 -167.78 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.57 -55.35 11.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -144.23 13.31 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 m -132.52 179.6 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.487 ' HB2' HG23 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -148.99 122.51 9.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.534 HG23 HD11 ' A' ' 67' ' ' LEU . 59.6 t -86.6 112.69 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.3 pt? -121.5 131.7 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -111.92 151.23 29.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.55 ' CB ' HD22 ' A' ' 59' ' ' LEU . 18.0 m-85 -120.17 161.96 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -112.1 104.21 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.59 ' CG2' HD23 ' A' ' 59' ' ' LEU . 59.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.421 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -107.64 -179.79 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.883 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -125.65 113.1 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.0 mmt -115.44 146.39 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 89' ' ' VAL . 4.1 p -137.36 116.83 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.57 112.72 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.042 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -112.09 152.72 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -56.68 163.85 1.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.579 HG21 ' HB3' ' A' ' 100' ' ' SER . 67.3 p -149.47 177.82 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -60.26 -24.09 64.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -65.71 172.71 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.08 110.15 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.64 20.2 78.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.642 ' HA ' HG22 ' A' ' 110' ' ' THR . 4.7 tt0 -126.89 105.11 8.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -79.71 169.76 17.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.579 ' HB3' HG21 ' A' ' 93' ' ' THR . 94.9 p -131.21 130.96 43.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.03 170.29 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.0 m -103.42 91.55 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.5 171.7 7.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.04 -26.22 5.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.26 169.8 26.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -50.68 121.73 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.55 170.43 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.45 138.98 21.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.878 ' HB2' HD12 ' A' ' 124' ' ' LEU . 3.7 t80 -107.26 138.03 44.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 98' ' ' GLU . 13.0 p -143.82 173.06 12.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.476 HD11 ' HZ ' ' A' ' 109' ' ' PHE . 52.8 mt -137.81 90.06 14.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.83 -48.6 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.435 ' HD2' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -113.31 108.59 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.682 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -109.69 88.67 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.83 52.39 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.65 -33.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -51.72 -41.94 61.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -120.62 -70.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 149' ' ' ILE . 47.3 p90 -138.0 132.9 32.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 114' ' ' THR . 18.0 tp -93.25 148.51 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.643 ' HE2' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -128.5 136.0 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -128.55 144.2 51.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.546 ' CE1' HD11 ' A' ' 125' ' ' ILE . 16.8 t-160 -123.98 111.51 16.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.878 HD12 ' HB2' ' A' ' 109' ' ' PHE . 6.1 tt -128.31 126.99 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.546 HD11 ' CE1' ' A' ' 123' ' ' HIS . 7.8 mt -116.46 139.86 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -126.52 121.81 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -109.15 99.88 9.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -144.17 160.39 41.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.8 t0 63.45 34.13 13.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.67 18.58 64.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -148.64 160.26 43.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.1 t -145.81 159.63 42.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.512 ' HE2' HD12 ' A' ' 135' ' ' LEU . 0.7 OUTLIER -148.91 151.96 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.824 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -94.13 121.9 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.616 HD13 ' CD2' ' A' ' 57' ' ' PHE . 4.4 tt -120.6 139.21 53.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 1.6 mtm -136.99 109.35 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.697 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -90.74 113.69 4.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.643 HD13 ' HE2' ' A' ' 121' ' ' MET . 4.4 tp -82.86 130.21 35.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.578 ' N ' HD12 ' A' ' 138' ' ' LEU . 18.3 m-85 -122.95 160.04 27.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -151.78 153.12 24.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.566 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -50.73 -28.7 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.0 OUTLIER -114.12 162.37 23.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.681 0.753 . . . . 0.0 110.908 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.3 Cg_endo -69.65 -5.94 17.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.41 138.78 29.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.614 HD12 HG21 ' A' ' 41' ' ' ILE . 20.8 mt -108.87 145.43 35.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.8 t -66.97 167.9 10.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.447 ' HA ' ' HG2' ' A' ' 150' ' ' LYS . 7.9 t -71.85 -9.7 58.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -25.67 20.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.623 HG23 ' CD2' ' A' ' 119' ' ' PHE . 75.4 mt -90.88 -47.23 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . 0.447 ' HG2' ' HA ' ' A' ' 147' ' ' SER . 2.7 ptpp? -53.64 -29.86 40.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -70.2 -32.04 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -67.42 -19.83 65.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.552 ' HB2' HD22 ' A' ' 138' ' ' LEU . 9.8 t80 -80.2 -43.09 22.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.85 -25.35 56.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -65.33 -54.55 27.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.435 HD22 ' HD2' ' A' ' 113' ' ' LYS . 14.7 tp -63.06 -26.45 68.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 93.6 m -61.81 -66.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -60.33 -35.44 75.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.32 -28.12 66.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -95.23 -3.73 47.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 103.4 19.67 12.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.65 103.82 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.606 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.08 159.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.768 ' HA ' HD13 ' A' ' 167' ' ' ILE . 3.4 tpp85 -68.84 -30.22 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.606 ' HB2' HD12 ' A' ' 163' ' ' LEU . 3.0 mm-40 -67.22 -15.81 63.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -85.0 -7.22 59.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.768 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.8 mp -78.78 110.1 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.724 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.6 mp -104.86 114.3 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.63 ' HA ' HG23 ' A' ' 42' ' ' ILE . 14.6 m-20 -72.41 130.79 41.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.73 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.4 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.857 0.36 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.613 ' O ' HG22 ' A' ' 114' ' ' THR . . . -154.63 -179.32 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.97 156.78 46.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.5 p -67.74 -11.89 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -53.08 -24.73 10.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.52 40.09 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -125.67 100.06 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.2 t30 55.96 47.01 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CD2' HG21 ' A' ' 114' ' ' THR . 22.3 t80 -100.02 141.74 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -129.69 103.87 7.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.815 HG23 HD11 ' A' ' 34' ' ' ILE . 9.9 p -84.56 -11.92 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -71.63 -17.53 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -83.78 -55.56 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.815 HD11 HG23 ' A' ' 31' ' ' VAL . 22.8 pt -54.95 -25.59 16.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -54.72 148.12 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.63 -170.0 13.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.588 ' N ' HE21 ' A' ' 63' ' ' GLN . 70.3 mt-10 -65.53 122.81 18.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.793 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.6 m95 -104.3 -176.28 3.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -162.25 141.13 9.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 m -88.78 99.64 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.856 HG21 HD12 ' A' ' 145' ' ' LEU . 15.7 mm -69.43 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.69 HG12 HG22 ' A' ' 41' ' ' ILE . 23.7 mm -139.51 149.85 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.463 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.3 tp -119.05 123.18 43.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -129.22 129.42 44.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.525 ' OG ' HD12 ' A' ' 51' ' ' ILE . 66.2 p -170.15 148.62 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 16.8 t0 -68.84 80.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.629 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.22 74.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.753 ' HD2' HD11 ' A' ' 168' ' ' ILE . 11.5 mmm-85 -54.71 -28.66 49.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -75.17 -6.04 47.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -100.58 -43.53 6.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -106.49 46.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -173.2 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -50.21 -42.26 51.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -118.85 68.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -106.41 -168.19 22.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -118.84 -28.8 5.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -90.44 -13.23 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 72.1 2.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.643 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -128.86 149.72 50.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.58 148.06 43.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.747 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.3 tp -89.5 153.59 20.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -108.86 -171.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.588 HE21 ' N ' ' A' ' 37' ' ' GLU . 5.4 tt0 -80.52 108.57 14.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.793 HD12 ' CD1' ' A' ' 38' ' ' TRP . 28.5 mt -71.34 140.62 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -107.82 134.73 50.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -90.66 119.33 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.767 HD21 HG23 ' A' ' 72' ' ' VAL . 2.1 mm? -109.3 -171.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -56.25 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -143.67 12.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.57 ' C ' HD23 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -125.31 -179.05 4.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.57 HD23 ' C ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -150.62 114.61 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.767 HG23 HD21 ' A' ' 67' ' ' LEU . 41.6 t -81.03 114.42 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.747 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.1 pt? -117.63 135.44 53.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -118.99 152.5 36.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.747 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 68.1 m-85 -130.36 177.54 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -131.31 129.1 41.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.643 ' CG2' HD23 ' A' ' 59' ' ' LEU . 16.9 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.583 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.6 OUTLIER -101.26 178.95 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.3 p -140.95 117.15 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.583 ' CE ' HD12 ' A' ' 86' ' ' LEU . 23.5 mmt -121.2 165.01 16.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 89' ' ' VAL . 4.4 p -150.0 117.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.31 113.74 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.8 169.36 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -76.8 163.12 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 p -144.96 -179.96 6.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.34 -7.49 58.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -73.09 179.86 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.31 100.55 9.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.44 27.02 64.31 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.687 ' HA ' HG22 ' A' ' 110' ' ' THR . 4.7 tt0 -131.86 109.5 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -87.48 159.17 18.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t -113.58 122.88 48.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.9 p -115.81 130.66 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.5 m -69.69 92.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.41 172.64 6.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -49.52 -27.52 4.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.53 162.46 27.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -49.41 121.58 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.701 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.01 170.22 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.44 126.43 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.832 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.7 t80 -99.15 130.78 45.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.687 HG22 ' HA ' ' A' ' 98' ' ' GLU . 9.7 p -136.92 175.7 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 121' ' ' MET . 43.5 mt -138.85 94.78 9.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.676 0.75 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.1 Cg_endo -69.77 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.277 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.04 109.23 16.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.63 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.9 t -107.28 89.07 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.68 52.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.42 -33.39 2.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -50.24 -42.92 52.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -120.83 -69.01 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.568 ' CD1' HG23 ' A' ' 149' ' ' ILE . 26.3 p90 -138.62 131.76 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.4 tp -92.35 145.83 24.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.58 ' CE ' HD22 ' A' ' 156' ' ' LEU . 13.3 mtp -127.11 138.13 53.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.65 157.66 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.53 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.4 t-160 -140.2 108.49 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.832 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.5 tt -119.38 138.77 52.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.53 HD11 ' CE1' ' A' ' 123' ' ' HIS . 20.3 mt -125.68 129.41 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -119.52 133.93 55.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -120.4 99.03 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -136.86 154.9 50.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.4 t0 62.02 27.28 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.89 5.52 70.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.525 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -128.95 149.33 50.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.015 0.436 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.1 t -139.62 159.96 40.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -150.45 154.23 37.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -91.12 109.46 20.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 136' ' ' MET . 3.3 tm? -97.86 140.33 32.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.653 ' N ' HD13 ' A' ' 135' ' ' LEU . 1.5 mtp -146.17 113.94 6.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.463 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -104.81 116.33 5.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.615 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.65 126.93 31.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.615 ' N ' HD23 ' A' ' 138' ' ' LEU . 19.2 m-85 -120.44 151.4 39.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -148.71 147.86 18.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -31.65 14.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -103.16 162.71 19.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.6 Cg_endo -69.8 -6.92 19.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -150.74 149.91 30.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.856 HD12 HG21 ' A' ' 41' ' ' ILE . 21.6 mt -115.86 141.37 48.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.6 t -67.59 179.1 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.3 m -78.76 -4.14 47.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -90.29 -33.03 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.569 HG22 HD13 ' A' ' 145' ' ' LEU . 87.3 mt -91.22 -45.85 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -53.67 -29.9 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -72.73 -31.53 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -59.37 -47.64 84.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 14.2 t80 -63.6 -22.78 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.715 ' HB1' ' CD ' ' A' ' 164' ' ' ARG . . . -80.86 -16.24 54.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -79.78 -28.18 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.58 HD22 ' CE ' ' A' ' 121' ' ' MET . 1.1 tp -91.64 -34.29 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 8.8 p -49.99 -31.96 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.63 -42.03 68.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -66.43 -16.46 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -98.47 7.67 45.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.15 -9.39 69.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 13.4 mt -84.17 103.28 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 111.185 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.5 150.07 3.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.715 ' CD ' ' HB1' ' A' ' 154' ' ' ALA . 1.0 OUTLIER -61.25 -22.98 65.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.642 ' HB2' HD12 ' A' ' 163' ' ' LEU . 17.0 mt-10 -78.26 -25.03 46.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.561 ' O ' HD12 ' A' ' 168' ' ' ILE . 7.8 m-20 -69.91 -10.81 59.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.586 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.6 mp -70.38 118.79 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.753 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -103.95 112.29 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.664 ' HA ' HD12 ' A' ' 42' ' ' ILE . 16.1 p-10 -81.06 126.17 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.821 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.872 0.368 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.658 ' O ' HG22 ' A' ' 114' ' ' THR . . . -167.35 -178.64 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p -129.79 157.95 40.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -7.79 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.2 p -50.97 -26.72 6.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.75 40.54 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.71 105.87 5.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.9 t30 63.0 39.63 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CD2' HG21 ' A' ' 114' ' ' THR . 31.0 t80 -100.0 140.49 34.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.85 95.65 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.965 HG23 HD11 ' A' ' 34' ' ' ILE . 9.6 p -77.52 -17.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.074 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -65.13 -15.1 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -88.16 -57.04 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.965 HD11 HG23 ' A' ' 31' ' ' VAL . 37.6 pt -52.79 -26.51 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.514 ' CG ' HG22 ' A' ' 66' ' ' VAL . 62.0 t30 -57.95 127.04 30.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.89 179.09 15.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -51.66 119.59 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.78 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.3 m95 -107.86 176.31 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -162.59 144.16 10.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.63 100.0 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.567 HG21 ' HB2' ' A' ' 145' ' ' LEU . 7.6 mm -66.0 -68.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 41' ' ' ILE . 29.0 mm -139.94 147.04 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.64 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.6 tp -118.34 128.01 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.519 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -134.05 127.44 32.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.663 ' OG ' HD22 ' A' ' 135' ' ' LEU . 2.9 m -163.23 149.26 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 17.0 t0 -68.98 81.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.566 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 165.78 79.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HD2' HD11 ' A' ' 168' ' ' ILE . 13.8 mmm-85 -56.3 -24.97 46.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -79.19 -7.32 58.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -100.1 -44.92 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.566 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -109.04 49.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.143 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.78 -169.51 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.47 -30.2 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.27 64.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -101.75 -168.44 27.44 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -115.66 -17.76 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -100.22 -7.51 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HB2' HD11 ' A' ' 170' ' ' LEU . 17.2 ptt85 -73.33 -6.54 46.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.664 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -49.57 159.37 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -86.99 160.55 18.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.585 HD23 ' HB3' ' A' ' 38' ' ' TRP . 49.4 tp -101.22 151.25 22.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -109.13 -172.72 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -80.6 107.99 13.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.78 HD12 ' CD1' ' A' ' 38' ' ' TRP . 4.4 mt -62.9 139.48 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -105.46 99.22 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.628 ' CG1' HG22 ' A' ' 31' ' ' VAL . 25.8 m -64.73 123.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.531 HD11 HG23 ' A' ' 72' ' ' VAL . 13.5 mt -110.63 -166.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -56.93 13.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -129.26 -19.52 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.411 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.9 m -108.65 -179.75 3.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.49 122.47 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.531 HG23 HD11 ' A' ' 67' ' ' LEU . 40.7 t -79.91 148.24 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -149.77 134.99 18.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 152.2 33.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.664 ' HB3' HD22 ' A' ' 59' ' ' LEU . 94.2 m-85 -128.91 165.98 20.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -113.36 115.65 28.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.646 ' CG2' HD23 ' A' ' 59' ' ' LEU . 73.1 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.648 HD12 ' HE3' ' A' ' 88' ' ' MET . 0.6 OUTLIER -101.28 178.21 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t -129.86 128.97 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.648 ' HE3' HD12 ' A' ' 86' ' ' LEU . 17.8 mmt -125.3 159.41 31.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.2 t -150.1 104.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -85.55 124.58 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -118.53 152.08 36.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -66.92 152.05 46.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.1 p -137.04 173.39 11.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.94 -23.14 52.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -58.5 -176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.64 107.7 17.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.01 31.63 65.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.622 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.9 tt0 -124.71 106.16 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.536 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 6.0 m-85 -79.83 170.13 16.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.3 p -131.34 122.74 26.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.92 170.22 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.193 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.9 m -108.05 91.19 3.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.54 172.45 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -49.82 -26.83 4.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.46 161.47 26.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.525 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -50.38 124.03 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.58 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.1 169.44 23.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.59 133.58 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.825 ' HB2' HD12 ' A' ' 124' ' ' LEU . 3.8 t80 -103.06 138.13 40.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 98' ' ' GLU . 10.4 p -143.51 175.49 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 121' ' ' MET . 68.0 mt -139.86 90.37 10.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.711 0.767 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -48.74 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.398 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.26 109.07 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.8 t -110.26 89.32 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.89 52.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -32.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -48.31 -45.0 34.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -121.09 -65.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CD2' HG23 ' A' ' 149' ' ' ILE . 20.0 p90 -139.04 134.03 32.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 114' ' ' THR . 16.9 tp -91.82 147.1 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.527 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.2 mtm -128.21 135.8 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.92 169.35 12.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -150.19 109.87 4.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.825 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.7 tt -126.32 139.52 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.3 mt -127.0 133.27 68.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -120.94 131.94 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -118.35 99.93 7.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -143.96 156.39 44.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 62.19 31.77 17.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.09 18.12 66.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -144.97 148.15 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.1 t -140.01 159.23 42.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.76 158.54 44.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -94.06 107.84 19.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 136' ' ' MET . 3.0 tm? -89.98 137.7 32.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.717 ' N ' HD13 ' A' ' 135' ' ' LEU . 7.9 mtt -139.48 109.69 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.64 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -106.67 109.72 3.15 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.614 HD21 HD12 ' A' ' 145' ' ' LEU . 9.6 tp -79.86 133.48 36.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.465 ' N ' HD12 ' A' ' 138' ' ' LEU . 20.6 m-85 -126.28 157.5 38.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.65 153.39 24.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -51.39 -28.36 12.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.41 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.3 OUTLIER -108.05 163.1 17.7 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.2 Cg_endo -69.78 -6.49 18.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -150.93 149.17 29.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.614 HD12 HD21 ' A' ' 138' ' ' LEU . 28.6 mt -113.71 144.91 42.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.0 t -69.13 -179.79 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 p -79.11 -5.27 53.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.7 -33.48 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.563 HG23 ' CD2' ' A' ' 119' ' ' PHE . 94.2 mt -90.71 -44.17 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -53.26 -31.17 42.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.02 -31.45 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -65.14 -20.51 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.476 ' HB2' HD22 ' A' ' 138' ' ' LEU . 17.4 t80 -80.19 -45.91 17.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.87 -23.43 31.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -61.6 -59.62 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.0 tp -60.03 -31.16 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 78.0 m -57.27 -70.28 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -57.89 -24.25 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -76.83 -25.41 53.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -95.38 -6.55 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 107.79 11.05 25.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 40.0 mt -103.56 104.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.09 153.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.734 ' HA ' HD13 ' A' ' 167' ' ' ILE . 40.9 tpt85 -67.04 -23.69 65.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.52 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.2 mt-10 -72.88 -19.99 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.614 ' O ' HD12 ' A' ' 168' ' ' ILE . 17.4 m-20 -80.67 -9.54 59.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.734 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -69.76 109.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.729 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.2 mp -103.57 132.92 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 42' ' ' ILE . 5.4 p-10 -83.92 138.05 33.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 58' ' ' ARG . 4.6 mm? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.69 ' O ' HG22 ' A' ' 114' ' ' THR . . . -146.46 -179.4 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 t -130.56 161.72 30.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -6.64 46.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.9 p -53.8 -24.57 15.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.57 40.18 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -128.84 102.1 6.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.2 t30 52.88 49.77 19.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.455 ' CD2' HG21 ' A' ' 114' ' ' THR . 35.6 t80 -100.08 143.22 30.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -129.74 107.48 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.834 HG23 HD11 ' A' ' 34' ' ' ILE . 8.0 p -89.95 -15.07 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.83 -12.09 61.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.809 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -89.67 -55.83 3.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.834 HD11 HG23 ' A' ' 31' ' ' VAL . 25.8 pt -54.18 -24.9 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.516 ' ND2' HG22 ' A' ' 66' ' ' VAL . 10.6 t-20 -58.78 128.1 35.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.53 178.8 15.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -51.64 119.87 4.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 0.0 110.812 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.797 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.2 m95 -106.66 178.99 4.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -162.47 139.79 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.8 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.77 99.96 12.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.58 HG21 HD12 ' A' ' 145' ' ' LEU . 7.8 mm -65.91 -64.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.513 HD13 ' O ' ' A' ' 41' ' ' ILE . 26.6 mm -142.21 144.32 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.498 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.3 tp -114.56 130.71 56.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.517 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -134.98 130.18 35.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 t -166.52 146.0 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 26.2 t0 -68.18 81.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.86 73.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.716 ' HD2' HD11 ' A' ' 168' ' ' ILE . 3.3 mmm180 -55.38 -29.08 57.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.08 -4.98 41.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -100.97 -50.39 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.691 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -96.38 42.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.65 -174.21 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.42 117.18 2.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 60.42 40.15 17.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.71 -144.63 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -124.92 -36.13 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -96.74 -8.4 31.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.688 ' HG3' HD11 ' A' ' 170' ' ' LEU . 33.5 ttt180 -75.47 67.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.676 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -117.69 155.5 29.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -83.35 132.9 34.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 62' ' ' GLU . 45.1 tp -77.47 148.91 35.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.544 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -109.47 -170.28 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -79.7 107.22 12.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.797 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.7 mt -61.84 139.4 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -104.92 99.28 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.544 HG12 HG22 ' A' ' 31' ' ' VAL . 19.4 m -64.99 121.17 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.529 HD11 HG23 ' A' ' 72' ' ' VAL . 16.6 mt -110.56 -167.45 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -60.58 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -129.6 -16.1 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.2 m -109.79 -179.92 3.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.31 127.78 8.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.542 HG13 HG22 ' A' ' 89' ' ' VAL . 60.5 t -86.58 143.37 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.469 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.2 pt? -144.33 130.57 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -107.35 151.0 26.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.65 ' CB ' HD22 ' A' ' 59' ' ' LEU . 20.3 m-85 -121.53 173.62 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -125.57 102.06 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.676 ' CG2' HD23 ' A' ' 59' ' ' LEU . 38.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.497 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -106.11 178.92 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.3 p -128.22 125.2 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.479 ' CE ' HD12 ' A' ' 86' ' ' LEU . 16.2 mmt -131.01 156.18 45.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.542 HG22 HG13 ' A' ' 72' ' ' VAL . 97.9 t -150.19 109.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -84.13 116.16 22.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.48 141.92 38.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -55.32 167.32 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.7 p -151.85 179.83 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.192 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -66.82 -21.31 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -59.3 177.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.2 105.96 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.65 32.89 82.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.639 ' HA ' HG22 ' A' ' 110' ' ' THR . 34.4 tt0 -134.36 109.39 8.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.602 ' O ' HG22 ' A' ' 108' ' ' THR . 3.8 m-85 -80.14 170.1 16.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.81 113.3 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.422 HG22 ' HB2' ' A' ' 90' ' ' ALA . 55.8 t -96.76 145.96 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.227 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.8 m -95.81 92.68 6.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.32 173.02 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.39 -27.91 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.65 -90.02 0.73 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -158.64 135.56 9.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.525 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -161.05 170.52 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -145.03 123.44 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.784 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.4 t80 -99.45 138.03 37.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.6 p -143.62 177.83 8.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.667 HG23 ' O ' ' A' ' 121' ' ' MET . 79.1 mt -141.95 89.5 8.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.84 -32.07 18.96 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.28 108.44 9.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.1 t -106.43 89.27 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.62 48.68 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -42.96 -33.9 0.88 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -46.09 -46.03 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -122.43 -69.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.543 ' CD2' HG23 ' A' ' 149' ' ' ILE . 30.5 p90 -133.13 132.66 41.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 114' ' ' THR . 24.7 tp -93.25 151.64 19.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.667 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.5 mtt -128.56 141.5 51.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.22 132.37 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.688 ' CE1' HD11 ' A' ' 125' ' ' ILE . 12.3 t-160 -115.98 108.03 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' ' 109' ' ' PHE . 3.7 tt -115.93 151.34 35.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.688 HD11 ' CE1' ' A' ' 123' ' ' HIS . 4.9 mt -137.6 138.68 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -122.16 118.65 29.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -112.71 100.54 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -146.8 156.53 43.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t70 63.53 26.77 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.791 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.64 5.82 69.71 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -129.42 147.09 51.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.3 t -143.27 160.69 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.563 ' HE2' HD12 ' A' ' 135' ' ' LEU . 0.4 OUTLIER -153.53 149.83 28.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -93.67 110.48 22.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.563 HD12 ' HE2' ' A' ' 133' ' ' PHE . 6.6 tt -108.91 142.85 38.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.61 ' SD ' HD23 ' A' ' 156' ' ' LEU . 18.8 ttm -133.02 118.62 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.498 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -98.69 111.29 4.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 139' ' ' TYR . 8.5 tp -84.74 130.71 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.833 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.461 ' N ' HD12 ' A' ' 138' ' ' LEU . 14.8 m-85 -125.5 157.11 37.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -146.41 154.48 25.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -53.93 -23.34 12.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -118.14 163.32 25.44 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.717 0.77 . . . . 0.0 110.869 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.0 Cg_endo -69.7 -4.77 14.66 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.738 2.292 . . . . 0.0 112.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -149.04 140.04 22.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.58 HD12 HG21 ' A' ' 41' ' ' ILE . 17.7 mt -109.3 158.38 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.6 t -82.38 179.74 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.5 m -80.4 -6.11 57.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.38 -32.82 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.543 HG23 ' CD2' ' A' ' 119' ' ' PHE . 87.8 mt -91.02 -44.15 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -28.83 35.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.0 -31.18 61.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -63.36 -21.16 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.408 ' HB2' HD22 ' A' ' 138' ' ' LEU . 6.0 t80 -80.35 -43.91 20.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.03 47.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -62.58 -56.36 18.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.61 HD23 ' SD ' ' A' ' 136' ' ' MET . 16.1 tp -67.72 -28.23 67.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 96.3 m -55.1 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.38 -29.82 67.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -68.48 -30.08 68.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -91.49 10.89 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.96 17.08 58.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 10.1 mt -111.37 99.52 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.145 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.57 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.16 160.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.766 ' HA ' HD13 ' A' ' 167' ' ' ILE . 11.8 tpt85 -72.38 -26.61 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.57 ' HB2' HD12 ' A' ' 163' ' ' LEU . 1.9 mm-40 -68.08 -13.21 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.57 ' O ' HD12 ' A' ' 168' ' ' ILE . 53.3 m-20 -90.69 -7.79 51.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.766 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -73.92 109.73 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.716 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.7 mp -102.57 134.1 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.459 ' HA ' HD12 ' A' ' 42' ' ' ILE . 3.2 p-10 -87.95 137.53 32.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.688 HD11 ' HG3' ' A' ' 58' ' ' ARG . 4.5 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.588 ' O ' HG22 ' A' ' 114' ' ' THR . . . -170.05 -179.6 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -138.57 165.88 25.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -1.56 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.7 p -60.12 -18.4 47.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.68 40.16 1.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -133.08 100.18 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 t30 51.92 50.94 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' HG21 ' A' ' 114' ' ' THR . 51.6 t80 -100.21 133.51 44.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -122.66 108.84 13.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.789 HG23 HD11 ' A' ' 34' ' ' ILE . 10.5 p -90.24 -13.08 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.76 -11.55 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -90.26 -54.19 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.789 HD11 HG23 ' A' ' 31' ' ' VAL . 18.5 pt -55.4 -25.61 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -57.79 127.59 32.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.36 -178.79 17.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.417 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' N ' HE21 ' A' ' 63' ' ' GLN . 73.8 mt-10 -53.93 119.83 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.765 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.7 m95 -107.71 177.78 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -163.12 149.2 12.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.2 102.34 14.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.675 HG21 HD12 ' A' ' 145' ' ' LEU . 7.0 mm -73.02 -65.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 41' ' ' ILE . 30.4 mm -138.3 147.38 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.543 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.0 tp -120.54 122.52 40.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.988 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.599 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -129.47 132.34 46.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.524 ' OG ' HD12 ' A' ' 51' ' ' ILE . 64.3 p -170.35 148.8 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.9 p-10 -69.13 80.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.619 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.77 75.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.708 ' HD2' HD11 ' A' ' 168' ' ' ILE . 9.8 mmm-85 -55.25 -27.66 47.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.98 -5.95 48.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 -44.27 5.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.641 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -104.5 45.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.059 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.99 -171.62 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -49.48 -57.39 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -107.45 49.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.56 -162.73 18.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -120.07 -29.34 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -95.2 -1.23 52.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.505 ' CD ' HD11 ' A' ' 170' ' ' LEU . 0.2 OUTLIER -72.42 78.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 -179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.659 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -136.25 156.2 49.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -85.39 160.17 19.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 38' ' ' TRP . 34.2 tp -102.4 150.5 23.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -109.1 -172.68 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.404 HE21 ' N ' ' A' ' 37' ' ' GLU . 6.1 tt0 -81.02 107.94 14.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.765 HD12 ' CD1' ' A' ' 38' ' ' TRP . 3.7 mt -62.27 139.7 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.63 99.69 9.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 31' ' ' VAL . 74.3 t -64.62 130.16 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 70' ' ' SER . 13.2 mt -118.04 -167.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.14 -53.85 47.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -132.28 -20.09 2.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.49 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.0 m -108.31 -179.06 3.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -155.97 123.6 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.413 HG23 HD11 ' A' ' 67' ' ' LEU . 50.5 t -79.75 148.07 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -147.96 137.88 22.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.74 152.15 40.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 50.9 m-85 -127.95 -172.79 2.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -132.79 110.14 10.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.659 ' CG2' HD23 ' A' ' 59' ' ' LEU . 39.9 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -110.35 178.21 4.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -137.75 148.7 45.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.49 ' HE1' HD11 ' A' ' 86' ' ' LEU . 5.2 mtt -145.3 170.24 16.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.5 t -139.36 99.31 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.43 116.93 20.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.89 164.19 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -79.37 152.34 30.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.4 p -135.5 173.07 12.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.31 -19.83 56.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -59.84 -172.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.04 106.82 17.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 51.96 33.07 35.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.515 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.68 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.7 tt0 -120.99 107.05 12.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.901 0.382 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -79.55 170.01 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.952 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.06 126.25 39.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.91 170.43 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.8 m -104.56 91.27 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.231 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.29 171.82 7.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.94 -25.93 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.09 169.2 26.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -50.81 121.55 6.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.538 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -157.66 169.87 23.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.65 133.7 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.812 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.2 t80 -102.86 134.34 46.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.68 HG22 ' HA ' ' A' ' 98' ' ' GLU . 13.1 p -140.16 175.18 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 121' ' ' MET . 9.1 mt -137.01 94.93 12.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.43 ' CE ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -119.13 108.59 14.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.692 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -107.42 90.31 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.68 52.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.12 -33.84 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -49.84 -42.77 48.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.07 -68.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.614 ' CD2' HG23 ' A' ' 149' ' ' ILE . 24.5 p90 -139.06 133.23 31.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 114' ' ' THR . 23.8 tp -91.91 150.32 21.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.3 mtm -131.43 135.9 47.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -129.77 154.63 47.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.588 ' CE1' HD11 ' A' ' 125' ' ' ILE . 9.8 t-160 -137.93 109.56 7.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.2 tt -120.95 137.54 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.588 HD11 ' CE1' ' A' ' 123' ' ' HIS . 21.2 mt -121.72 133.68 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -124.02 121.64 35.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -111.02 101.73 10.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -143.31 158.82 43.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 58.14 34.26 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 65.55 14.72 60.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -137.67 148.0 45.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.6 t -142.29 160.25 40.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.444 ' HE2' HD23 ' A' ' 135' ' ' LEU . 3.0 p90 -154.39 154.57 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -93.56 109.25 20.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 136' ' ' MET . 3.1 tm? -96.26 139.2 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.672 ' N ' HD13 ' A' ' 135' ' ' LEU . 3.5 mtm -140.18 116.74 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.543 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -108.31 109.89 2.98 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.458 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 139' ' ' TYR . 2.6 tp -79.49 123.0 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.555 ' N ' HD12 ' A' ' 138' ' ' LEU . 18.1 m-85 -114.98 161.49 18.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -154.1 152.28 23.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -50.14 -31.67 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.472 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 2.5 mm-40 -108.03 160.12 28.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.2 Cg_endo -69.77 -6.47 18.69 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -147.15 138.47 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.675 HD12 HG21 ' A' ' 41' ' ' ILE . 30.9 mt -108.59 145.49 34.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -69.61 179.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.4 m -80.25 -5.4 56.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -90.6 -31.57 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.614 HG23 ' CD2' ' A' ' 119' ' ' PHE . 88.4 mt -91.08 -43.28 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -58.75 -27.82 65.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -74.18 -30.76 62.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -58.75 -45.76 88.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 9.5 t80 -61.73 -36.73 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.849 ' HB1' ' HD2' ' A' ' 164' ' ' ARG . . . -63.6 -17.61 63.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -80.42 -28.0 37.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.43 HD13 ' CE ' ' A' ' 113' ' ' LYS . 9.3 tp -90.85 -35.97 14.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 9.8 p -51.24 -33.3 27.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.0 -35.83 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.92 -26.24 65.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -90.71 7.23 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.2 -8.0 75.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.7 mt -82.48 101.84 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.891 0.377 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.13 151.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.993 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.849 ' HD2' ' HB1' ' A' ' 154' ' ' ALA . 2.0 mmm180 -62.38 -23.71 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.658 ' HB2' HD12 ' A' ' 163' ' ' LEU . 12.4 mm-40 -75.57 -25.33 57.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.543 ' O ' HD12 ' A' ' 168' ' ' ILE . 16.8 m-20 -70.76 -10.19 58.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.599 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -71.4 118.67 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.708 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -105.06 123.46 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.422 ' HA ' HD12 ' A' ' 42' ' ' ILE . 9.7 p-10 -71.24 132.38 44.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.505 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.4 mm? . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.645 ' O ' HG22 ' A' ' 114' ' ' THR . . . -158.2 -179.09 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -130.78 155.79 46.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -72.26 -7.61 50.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.7 p -57.08 -20.43 25.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.95 40.11 1.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -128.27 99.75 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 t30 54.25 49.02 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CD2' HG21 ' A' ' 114' ' ' THR . 30.5 t80 -99.98 141.81 32.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -130.08 102.19 6.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.995 HG23 HD11 ' A' ' 34' ' ' ILE . 8.1 p -83.46 -19.23 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.64 -20.13 64.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -82.8 -57.43 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.995 HD11 HG23 ' A' ' 31' ' ' VAL . 46.4 pt -54.11 -25.79 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.422 ' CG ' HG23 ' A' ' 66' ' ' VAL . 60.0 t30 -55.22 143.09 28.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.85 -175.21 17.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.585 ' N ' HE21 ' A' ' 63' ' ' GLN . 15.3 pt-20 -57.39 132.76 54.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.811 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.5 m95 -116.53 -176.67 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -162.73 139.41 7.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.09 99.94 12.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.718 HG21 HD12 ' A' ' 145' ' ' LEU . 7.7 mm -69.09 -68.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 41' ' ' ILE . 25.2 mm -138.44 149.26 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.748 HD23 ' CG2' ' A' ' 51' ' ' ILE . 1.4 tp -124.57 119.6 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -121.94 135.83 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.527 ' HB2' HD22 ' A' ' 135' ' ' LEU . 38.8 t -171.11 143.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.2 t70 -69.33 81.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.703 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.4 61.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.499 ' HD2' HD11 ' A' ' 168' ' ' ILE . 7.3 mmm180 -39.6 -48.88 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -51.63 -41.72 61.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 47' ' ' LYS . 14.1 tppt? -69.16 -50.35 48.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.748 ' CG2' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -99.26 47.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.75 -173.59 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -48.83 -60.68 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -94.76 25.59 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.58 -170.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -117.8 -21.74 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -96.47 -4.29 41.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' A' ' 170' ' ' LEU . 6.7 tmm_? -75.05 72.05 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.655 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -127.07 149.86 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -81.32 159.82 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.722 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.1 tp -96.74 152.95 18.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -109.06 -172.21 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.585 HE21 ' N ' ' A' ' 37' ' ' GLU . 6.1 tt0 -79.93 107.96 13.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.811 HD12 ' CD1' ' A' ' 38' ' ' TRP . 23.1 mt -71.09 139.76 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -109.72 142.09 41.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.422 HG23 ' CG ' ' A' ' 35' ' ' ASN . 64.4 t -94.79 118.01 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.19 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.62 HD21 HG23 ' A' ' 72' ' ' VAL . 2.0 mm? -109.39 -170.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -56.66 7.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -144.75 13.29 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.525 ' C ' HD23 ' A' ' 71' ' ' LEU . 1.4 m -127.13 -179.51 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.525 HD23 ' C ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -149.01 116.81 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.62 HG23 HD21 ' A' ' 67' ' ' LEU . 97.9 t -79.97 114.52 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.728 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.6 pt? -121.39 137.14 54.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -123.38 152.61 41.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.728 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 49.2 m-85 -130.35 168.14 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -114.93 118.07 32.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.655 ' CG2' HD23 ' A' ' 59' ' ' LEU . 36.2 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -112.38 176.25 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.1 p -123.06 132.31 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.52 159.46 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 89' ' ' VAL . 2.5 p -150.05 101.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -79.17 115.4 18.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.17 156.02 22.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -65.25 159.13 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 100' ' ' SER . 34.4 p -146.11 175.76 10.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.56 -24.11 44.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.11 178.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.36 112.35 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.76 25.27 65.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.7 ' HA ' HG22 ' A' ' 110' ' ' THR . 6.9 tt0 -125.15 104.52 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.426 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 21.5 m-85 -80.16 170.04 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.415 ' HB2' HG21 ' A' ' 93' ' ' THR . 0.3 OUTLIER -128.78 127.21 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.9 m -109.18 170.36 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.4 m -103.08 92.25 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.11 173.2 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.11 -28.29 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -140.03 -152.05 5.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.522 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -84.39 125.58 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.411 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.97 164.09 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.56 131.33 20.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.811 ' HB2' HD12 ' A' ' 124' ' ' LEU . 6.2 t80 -98.82 135.96 39.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 98' ' ' GLU . 22.2 p -140.8 173.62 11.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 121' ' ' MET . 60.5 mt -138.86 89.67 12.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.7 Cg_endo -69.81 -45.78 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.343 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.35 107.74 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.9 t -108.6 89.45 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.2 50.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -44.45 -32.7 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -47.84 -45.17 29.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -122.09 -68.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CD2' HG23 ' A' ' 149' ' ' ILE . 23.0 p90 -135.59 132.65 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 114' ' ' THR . 20.2 tp -92.62 149.88 21.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.522 ' O ' HG23 ' A' ' 111' ' ' ILE . 2.5 mtp -128.04 143.77 51.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.36 166.42 24.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.059 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.573 ' CE1' HD11 ' A' ' 125' ' ' ILE . 17.6 t-160 -150.13 111.62 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.811 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.6 tt -126.91 127.64 45.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' A' ' 123' ' ' HIS . 7.9 mt -113.96 140.27 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -127.73 146.4 50.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -133.31 99.42 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -146.32 160.74 41.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 63.95 20.14 12.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 77.71 20.71 73.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -150.16 154.03 37.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.401 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.2 t -141.72 160.24 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.6 151.85 30.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -91.49 107.12 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 136' ' ' MET . 3.1 tm? -97.87 139.37 33.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.7 ' N ' HD13 ' A' ' 135' ' ' LEU . 9.7 mtp -139.13 118.39 12.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.629 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -103.47 110.35 3.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.551 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.641 HD22 ' HB2' ' A' ' 153' ' ' PHE . 2.5 tp -82.84 119.1 23.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.552 ' N ' HD12 ' A' ' 138' ' ' LEU . 18.2 m-85 -110.72 155.15 22.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -143.2 149.19 21.13 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.402 ' HG3' ' HG2' ' A' ' 142' ' ' GLU . 14.5 ptt-85 -50.05 -30.49 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.709 0.29 . . . . 0.0 110.871 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -109.95 163.72 16.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.0 Cg_endo -69.8 -5.13 15.5 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.292 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -150.75 138.83 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 41' ' ' ILE . 25.7 mt -108.64 149.42 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -74.92 -179.88 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 m -80.17 -4.1 51.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -90.78 -33.2 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.558 HG23 ' CD2' ' A' ' 119' ' ' PHE . 90.9 mt -90.87 -43.68 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -54.1 -28.2 37.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -76.28 -30.35 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -62.86 -23.54 67.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.641 ' HB2' HD22 ' A' ' 138' ' ' LEU . 16.8 t80 -79.92 -42.32 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.16 -21.86 48.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -63.98 -50.93 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.521 HD22 ' CE ' ' A' ' 121' ' ' MET . 0.6 OUTLIER -73.88 -24.43 59.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 92.1 m -59.47 -69.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -55.67 -30.66 61.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.66 -28.54 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.52 15.22 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.88 9.05 78.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 31.4 mt -106.84 97.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.34 166.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.775 ' HA ' HD13 ' A' ' 167' ' ' ILE . 5.1 tpp85 -73.64 -30.37 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.59 ' HB2' HD12 ' A' ' 163' ' ' LEU . 20.6 mm-40 -66.8 -13.28 61.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.505 ' O ' HD12 ' A' ' 168' ' ' ILE . 10.8 m-20 -90.35 -5.81 55.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.775 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -76.44 109.56 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 166' ' ' ASN . 2.0 mp -101.45 125.49 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.498 ' HA ' HD12 ' A' ' 42' ' ' ILE . 1.6 p30 -84.47 128.84 34.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.43 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.3 mm? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.704 ' O ' HG22 ' A' ' 114' ' ' THR . . . -162.91 -179.79 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 m -131.99 161.81 32.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -74.33 -6.69 49.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 p -53.55 -24.64 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.5 40.14 1.39 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -130.15 100.19 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.5 t30 56.74 47.42 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CD2' HG21 ' A' ' 114' ' ' THR . 40.0 t80 -100.16 142.85 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.46 107.46 9.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.903 HG23 HD11 ' A' ' 34' ' ' ILE . 7.1 p -90.28 -13.49 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.11 -15.73 63.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -86.54 -56.29 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.903 HD11 HG23 ' A' ' 31' ' ' VAL . 22.7 pt -54.65 -24.92 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -59.8 126.43 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.81 179.42 16.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -51.71 119.68 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.747 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.8 m95 -106.31 -178.94 3.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -162.7 144.87 10.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.6 m -93.87 99.68 12.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.725 HG21 HD12 ' A' ' 145' ' ' LEU . 8.4 mm -68.21 -68.1 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.576 HD13 ' O ' ' A' ' 41' ' ' ILE . 25.4 mm -138.89 149.57 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 51' ' ' ILE . 1.6 tp -122.63 115.46 22.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.488 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -121.39 129.8 53.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.608 ' HB2' HD22 ' A' ' 135' ' ' LEU . 29.4 t -168.22 149.36 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 5.0 t0 -68.81 81.69 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.8 74.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.528 ' HD2' HD11 ' A' ' 168' ' ' ILE . 3.0 mmm180 -56.14 -25.56 46.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.64 -5.14 52.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.73 -40.51 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.496 HG22 HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -113.5 51.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -170.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.95 -31.32 28.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -130.91 66.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -102.31 -171.42 27.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.56 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -117.26 -27.99 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -88.81 -6.92 57.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -81.44 61.38 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.699 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -111.8 149.37 31.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -79.43 117.29 20.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.439 HD23 ' HB3' ' A' ' 38' ' ' TRP . 42.6 tp -58.75 152.77 18.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' H ' HD12 ' A' ' 61' ' ' LEU . 63.8 mm-40 -109.33 -173.03 2.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -81.2 107.5 14.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.747 HD12 ' CD1' ' A' ' 38' ' ' TRP . 3.9 mt -62.68 139.75 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -107.66 100.39 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.05 123.37 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.561 HD11 HG23 ' A' ' 72' ' ' VAL . 14.7 mt -111.42 -167.46 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -60.22 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -127.67 -18.21 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.7 m -109.3 -179.46 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.49 124.93 8.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.561 HG23 HD11 ' A' ' 67' ' ' LEU . 47.1 t -79.88 146.45 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.579 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -149.93 136.61 19.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -121.55 152.69 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.676 ' HB3' HD22 ' A' ' 59' ' ' LEU . 76.6 m-85 -130.67 167.24 19.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -133.67 102.43 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.699 ' CG2' HD23 ' A' ' 59' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.923 0.392 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -116.92 177.36 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.2 m -133.42 128.43 35.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.2 mtm -136.34 170.37 16.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.0 p -149.87 108.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.29 115.35 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -103.58 169.5 8.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -87.04 165.95 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.8 p -151.31 179.45 8.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -80.97 -1.11 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -70.19 -174.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.54 99.66 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 54.45 25.61 34.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.391 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.681 ' HA ' HG22 ' A' ' 110' ' ' THR . 13.1 tt0 -113.32 110.42 20.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -80.22 163.21 24.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.59 122.1 39.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.17 138.17 51.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.5 m -75.5 92.99 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.47 172.53 6.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.55 -26.43 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.03 167.81 28.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.547 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -49.74 117.47 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.527 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -154.83 170.25 22.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.58 125.88 10.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.063 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.648 ' CB ' HD12 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -99.83 132.48 45.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 98' ' ' GLU . 7.2 p -134.07 174.64 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.475 HG23 ' O ' ' A' ' 121' ' ' MET . 31.1 mt -137.74 89.8 14.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.741 . . . . 0.0 111.167 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -49.13 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -112.51 107.67 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.8 t -108.14 89.16 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.01 50.75 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.08 -33.12 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.985 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -49.62 -43.47 46.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -121.99 -70.45 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.546 ' CD2' HG23 ' A' ' 149' ' ' ILE . 39.2 p90 -134.78 131.6 37.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 114' ' ' THR . 18.7 tp -93.3 148.89 21.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.475 ' O ' HG23 ' A' ' 111' ' ' ILE . 3.7 mmm -131.29 141.25 49.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.26 144.63 40.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.415 ' CE1' HD11 ' A' ' 125' ' ' ILE . 14.6 t-160 -123.11 117.71 26.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.648 HD12 ' CB ' ' A' ' 109' ' ' PHE . 4.8 tt -127.94 151.07 49.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.415 HD11 ' CE1' ' A' ' 123' ' ' HIS . 16.1 mt -139.99 136.32 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -126.99 125.96 42.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.772 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.59 99.82 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -139.11 155.18 48.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.58 31.64 18.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.84 9.93 60.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.548 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -133.81 149.16 51.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.903 0.383 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.7 t -139.48 160.09 40.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.59 149.06 30.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -90.41 107.2 19.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 136' ' ' MET . 2.7 tm? -98.17 139.95 33.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.726 ' N ' HD13 ' A' ' 135' ' ' LEU . 15.0 mtt -143.99 111.6 6.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.447 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -99.24 116.74 5.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.674 HD22 ' HB2' ' A' ' 153' ' ' PHE . 2.4 tp -88.27 121.98 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.579 ' N ' HD12 ' A' ' 138' ' ' LEU . 21.3 m-85 -113.27 155.41 25.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -142.26 149.09 20.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -29.57 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.4 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.7 OUTLIER -114.23 164.43 16.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.748 . . . . 0.0 110.846 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.4 Cg_endo -69.68 -4.45 13.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -147.38 136.95 22.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.725 HD12 HG21 ' A' ' 41' ' ' ILE . 20.0 mt -108.97 143.85 37.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -68.28 172.75 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.3 m -75.59 -5.7 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.65 -29.83 17.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.546 HG23 ' CD2' ' A' ' 119' ' ' PHE . 83.5 mt -90.96 -45.22 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.15 -30.94 39.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.13 -31.82 66.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -63.06 -26.66 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.674 ' HB2' HD22 ' A' ' 138' ' ' LEU . 14.5 t80 -75.49 -46.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.02 -29.07 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -60.9 -49.42 77.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.2 -27.07 65.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 60.8 m -65.9 -66.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -58.33 -22.55 53.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.86 -27.86 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -90.51 3.24 54.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 97.9 10.17 52.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.2 104.44 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.344 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.84 150.76 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.71 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -64.94 -22.41 66.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.618 ' HB2' HD12 ' A' ' 163' ' ' LEU . 24.0 mm-40 -73.35 -20.51 60.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.501 ' O ' HD12 ' A' ' 168' ' ' ILE . 18.5 m-20 -80.81 -5.03 56.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.71 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -75.13 110.06 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.528 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.8 mp -101.62 121.2 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 42' ' ' ILE . 3.1 t0 -91.59 127.63 37.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.768 HD22 ' O ' ' A' ' 170' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.644 ' O ' HG22 ' A' ' 114' ' ' THR . . . -152.86 -178.95 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 p -129.94 155.99 45.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 p -69.93 -10.15 57.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.5 p -54.84 -23.45 18.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.58 40.06 1.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -127.53 99.97 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 t30 58.54 43.78 18.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.588 ' CD2' HG21 ' A' ' 114' ' ' THR . 25.7 t80 -99.6 142.0 31.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -130.13 97.11 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.878 HG23 HD11 ' A' ' 34' ' ' ILE . 9.1 p -78.09 -12.98 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.84 -20.42 63.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -81.44 -55.6 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.878 HD11 HG23 ' A' ' 31' ' ' VAL . 26.8 pt -55.79 -23.62 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -61.27 130.42 46.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.75 -178.76 16.84 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.429 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.589 ' N ' HE21 ' A' ' 63' ' ' GLN . 42.6 mt-10 -54.32 119.27 4.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.928 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.816 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.4 m95 -104.63 -176.59 3.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -162.84 148.65 12.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.0 m -96.09 99.37 11.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.827 HG21 HD12 ' A' ' 145' ' ' LEU . 10.0 mm -69.54 -69.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.147 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.624 HG12 HG22 ' A' ' 41' ' ' ILE . 24.2 mm -142.13 148.26 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.712 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.5 tp -118.21 126.9 53.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.502 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -131.5 129.85 41.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.031 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.62 145.63 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 6.9 p-10 -68.29 81.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.21 72.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 168' ' ' ILE . 2.6 mmm180 -54.57 -29.25 50.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.66 -6.3 47.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.13 -50.97 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.833 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -93.3 40.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -173.25 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -52.59 121.78 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.788 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 62.79 30.76 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.15 -158.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -121.51 -6.82 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -125.64 8.48 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.62 58.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -111.7 155.9 22.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -77.43 151.22 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 38' ' ' TRP . 35.0 tp -95.79 151.27 19.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.73 -172.66 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.589 HE21 ' N ' ' A' ' 37' ' ' GLU . 8.6 tt0 -82.21 107.93 15.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.816 HD12 ' CD1' ' A' ' 38' ' ' TRP . 6.5 mt -61.46 139.48 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -108.2 102.6 11.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.45 HG22 HG22 ' A' ' 31' ' ' VAL . 83.1 t -66.28 112.93 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.191 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.607 HD11 HG23 ' A' ' 72' ' ' VAL . 38.0 mt -100.84 -168.67 1.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -55.58 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -141.27 10.19 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.51 ' C ' HD23 ' A' ' 71' ' ' LEU . 7.7 m -129.27 -179.96 5.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.526 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -148.29 122.83 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.607 HG23 HD11 ' A' ' 67' ' ' LEU . 97.7 t -87.64 118.38 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.755 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.4 pt? -122.81 135.52 54.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -118.51 152.45 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.755 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 81.5 m-85 -131.55 157.37 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -106.7 120.46 42.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.658 ' CG2' HD23 ' A' ' 59' ' ' LEU . 18.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -103.58 178.21 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.9 p -132.35 110.59 10.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.3 mmt -110.5 161.96 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.0 p -150.2 109.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.35 108.39 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -102.92 152.58 21.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -64.06 170.56 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.533 HG21 ' HB3' ' A' ' 100' ' ' SER . 45.3 p -151.51 179.78 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -56.72 -25.89 55.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -71.56 166.81 21.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.87 102.19 10.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.33 -26.39 24.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.7 ' HA ' HG22 ' A' ' 110' ' ' THR . 13.4 tt0 -86.66 103.74 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.526 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.6 m-85 -83.5 159.07 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.533 ' HB3' HG21 ' A' ' 93' ' ' THR . 83.5 p -121.82 116.58 24.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.2 137.41 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 97.8 m -72.64 92.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.98 172.53 6.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -49.37 -26.83 3.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.26 163.35 28.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.566 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -49.69 120.17 4.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.627 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -156.28 168.52 27.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.17 125.29 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.851 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.8 t80 -98.9 130.24 45.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.3 p -136.57 173.92 11.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.448 HD11 ' HZ ' ' A' ' 109' ' ' PHE . 55.7 mt -139.14 89.63 12.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -48.76 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.763 2.309 . . . . 0.0 112.301 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.524 ' HE3' HD13 ' A' ' 156' ' ' LEU . 1.0 OUTLIER -111.97 108.89 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.647 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -112.08 89.53 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.8 52.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.06 -33.33 1.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -49.47 -43.95 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -121.02 -69.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.604 ' CD2' HG23 ' A' ' 149' ' ' ILE . 26.4 p90 -136.57 133.4 36.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 114' ' ' THR . 22.4 tp -91.51 150.61 21.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.439 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.3 mtm -130.47 133.03 45.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -128.21 157.36 41.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.571 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.9 t-160 -140.68 110.52 6.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.851 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.0 tt -124.39 130.03 51.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 123' ' ' HIS . 31.8 mt -116.54 127.21 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -119.07 126.63 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.42 99.75 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -140.66 156.49 46.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t0 61.45 30.59 18.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 69.27 14.02 68.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -137.37 152.49 49.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.2 t -144.86 160.19 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.429 ' CE2' HD23 ' A' ' 135' ' ' LEU . 0.3 OUTLIER -155.8 156.88 35.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -92.62 107.81 19.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 136' ' ' MET . 2.9 tm? -91.84 139.26 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.703 ' N ' HD13 ' A' ' 135' ' ' LEU . 13.0 mtt -142.35 109.74 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.712 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -100.62 113.41 4.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.511 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.5 tt -79.9 125.88 30.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.594 ' N ' HD23 ' A' ' 138' ' ' LEU . 13.1 m-85 -125.37 137.0 54.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.34 154.52 20.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -51.08 -30.33 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.0 OUTLIER -110.32 162.71 19.41 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.678 0.752 . . . . 0.0 110.874 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.6 Cg_endo -69.75 -5.65 16.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.385 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.7 139.16 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.827 HD12 HG21 ' A' ' 41' ' ' ILE . 16.7 mt -108.86 152.39 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.7 t -73.96 177.63 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.07 -7.35 58.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.07 -30.94 17.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 119' ' ' PHE . 88.5 mt -90.52 -44.71 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -53.79 -29.98 42.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.57 -30.09 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -60.51 -42.88 97.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.488 ' CD2' HD12 ' A' ' 138' ' ' LEU . 12.0 t80 -65.49 -43.06 91.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.63 -25.53 53.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.53 -55.61 29.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.524 HD13 ' HE3' ' A' ' 113' ' ' LYS . 12.6 tp -64.29 -29.35 70.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 79.7 m -57.94 -66.58 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -56.71 -26.09 55.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -69.05 -35.54 76.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -86.75 -4.34 59.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 110.83 -6.57 29.42 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 56.0 mt -82.25 98.15 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.384 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.24 148.26 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.699 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.7 OUTLIER -59.69 -23.53 63.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.667 ' HB2' HD12 ' A' ' 163' ' ' LEU . 28.5 mm-40 -74.9 -26.11 59.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.554 ' O ' HD12 ' A' ' 168' ' ' ILE . 26.8 m-20 -72.46 -10.11 59.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.699 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.8 mp -70.87 109.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.833 HD13 HG13 ' A' ' 51' ' ' ILE . 1.3 mp -95.77 115.92 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.579 ' HA ' HD12 ' A' ' 42' ' ' ILE . 7.3 p-10 -92.62 123.31 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.625 ' O ' HG22 ' A' ' 114' ' ' THR . . . -166.34 -179.69 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -130.68 159.47 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -8.56 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -55.89 -21.68 21.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.86 40.15 1.34 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.563 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -126.41 99.72 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.6 t30 51.57 49.16 21.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CD2' HG21 ' A' ' 114' ' ' THR . 28.3 t80 -100.08 142.22 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -130.29 92.44 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 HD11 ' A' ' 34' ' ' ILE . 9.6 p -76.22 -14.0 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.71 -7.07 52.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -90.47 -55.62 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 31' ' ' VAL . 7.3 pt -53.67 -27.29 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' HB2' HG13 ' A' ' 66' ' ' VAL . 7.0 t-20 -53.1 151.8 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.35 179.86 23.07 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -50.79 119.29 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.751 ' CD1' HD12 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -106.88 -176.84 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -162.9 148.46 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -100.08 99.83 10.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.629 HG21 HD12 ' A' ' 145' ' ' LEU . 6.8 mm -70.09 -68.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.661 HG23 ' HA ' ' A' ' 169' ' ' ASP . 21.2 mm -141.89 152.13 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.637 HD12 ' HA2' ' A' ' 137' ' ' GLY . 2.8 tp -117.67 145.27 44.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.58 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -149.62 129.79 13.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.481 ' OG ' HD12 ' A' ' 51' ' ' ILE . 25.5 p -170.39 148.89 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 13.0 t70 -68.08 81.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.578 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.13 75.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.561 ' HD2' HD11 ' A' ' 168' ' ' ILE . 7.7 mmm-85 -55.19 -28.05 50.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -76.26 -6.03 49.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 -45.66 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.584 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -102.93 45.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -172.09 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -51.45 -46.31 63.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -106.81 52.36 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.85 176.01 37.4 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.569 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.28 -19.5 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -93.88 -15.9 24.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -77.13 62.84 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.626 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -113.27 155.77 24.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -77.56 145.08 37.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 38' ' ' TRP . 27.3 tp -90.26 150.44 21.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.66 -171.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -81.14 107.77 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.751 HD12 ' CD1' ' A' ' 38' ' ' TRP . 13.1 mt -64.72 140.87 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 99.92 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 35' ' ' ASN . 6.8 m -67.54 110.59 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD11 HG23 ' A' ' 72' ' ' VAL . 27.1 mt -94.4 -167.76 1.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -53.94 -53.98 45.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.99 -19.38 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.474 ' C ' HD23 ' A' ' 71' ' ' LEU . 67.6 m -107.86 -179.31 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.583 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -147.63 134.83 20.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.492 HG23 HD11 ' A' ' 67' ' ' LEU . 48.2 t -96.44 116.66 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.745 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.4 pt? -118.75 135.84 54.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -117.89 153.24 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.745 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 81.1 m-85 -131.32 173.08 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -121.87 119.62 32.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.808 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.626 ' CG2' HD23 ' A' ' 59' ' ' LEU . 41.1 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.471 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -103.31 179.38 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -141.18 104.61 4.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.471 ' CE ' HD12 ' A' ' 86' ' ' LEU . 20.3 mmt -101.78 163.45 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 90.0 t -146.73 125.01 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.528 ' CA ' HG12 ' A' ' 101' ' ' VAL . . . -94.82 115.9 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -105.63 144.51 32.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -62.39 159.64 14.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 74.3 p -140.47 179.16 6.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -78.15 -4.07 45.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -72.59 -173.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.68 99.59 8.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.51 24.71 68.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.505 ' HA ' HG22 ' A' ' 110' ' ' THR . 1.1 tp10 -119.03 100.76 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.583 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.7 m-85 -79.62 170.06 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.5 m -141.89 119.47 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.528 HG12 ' CA ' ' A' ' 90' ' ' ALA . 30.4 m -102.1 170.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.7 m -100.2 91.08 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.45 172.61 6.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.43 -26.9 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.79 165.45 27.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -50.0 122.74 7.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.799 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.412 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -154.79 169.23 24.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.7 134.06 28.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.875 ' HB2' HD12 ' A' ' 124' ' ' LEU . 4.7 t80 -104.53 138.77 40.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 98' ' ' GLU . 17.4 p -146.08 175.1 10.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -138.93 89.06 13.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.595 0.712 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.297 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.26 108.63 16.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.8 t -108.33 89.18 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.68 50.89 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -45.61 -34.05 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -51.57 -39.26 57.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -121.41 -69.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.625 ' CD2' HG23 ' A' ' 149' ' ' ILE . 24.6 p90 -138.38 135.73 35.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.718 HD13 ' N ' ' A' ' 121' ' ' MET . 3.4 tm? -91.31 142.13 28.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.718 ' N ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -130.49 109.39 10.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.444 ' HB1' ' HE1' ' A' ' 109' ' ' PHE . . . -109.33 143.56 38.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.532 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.8 t-160 -120.84 118.9 31.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.875 HD12 ' HB2' ' A' ' 109' ' ' PHE . 3.7 tt -132.21 126.7 34.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' A' ' 123' ' ' HIS . 20.5 mt -109.4 138.7 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.43 122.71 36.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -110.78 105.86 14.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -149.8 157.46 43.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 42.4 t0 62.98 31.61 16.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.35 13.01 64.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -140.55 153.87 46.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.0 t -143.06 159.96 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -152.94 156.57 39.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -94.12 109.43 21.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.676 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -98.17 138.6 35.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.676 ' N ' HD13 ' A' ' 135' ' ' LEU . 8.0 mtp -144.55 112.89 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.637 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -100.6 113.34 4.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.449 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' A' ' 153' ' ' PHE . 9.1 tp -78.92 125.9 29.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.949 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.642 ' HD2' HD12 ' A' ' 120' ' ' LEU . 5.3 m-85 -121.03 157.81 29.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -151.08 154.62 25.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -51.3 -28.31 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -112.11 162.53 20.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 0.0 110.936 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.3 Cg_endo -69.81 -6.08 17.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.0 141.83 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.642 HD22 HG21 ' A' ' 149' ' ' ILE . 20.7 mt -108.85 142.2 39.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.1 t -66.16 -180.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.7 m -80.52 -7.88 59.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.06 -31.33 17.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.642 HG21 HD22 ' A' ' 145' ' ' LEU . 92.2 mt -90.87 -44.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -53.17 -31.55 43.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.73 -31.73 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -63.06 -21.55 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 13.5 t80 -77.79 -46.06 22.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.423 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -55.41 -31.17 61.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.32 -44.62 96.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.65 -36.08 67.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 84.4 m -54.21 -69.21 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.06 -35.75 64.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.04 -33.77 76.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.63 -3.51 58.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 102.16 11.15 37.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 42.8 mt -103.69 105.2 17.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.453 HD12 ' CG ' ' A' ' 165' ' ' GLU . 0.0 OUTLIER -45.44 149.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.552 ' HA ' HD13 ' A' ' 167' ' ' ILE . 16.7 tpt85 -69.65 -33.71 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.453 ' CG ' HD12 ' A' ' 163' ' ' LEU . 14.2 pt-20 -68.01 -11.65 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.478 ' O ' HD12 ' A' ' 168' ' ' ILE . 2.0 m-20 -86.51 -7.12 58.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.58 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -71.83 113.5 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.584 HD13 ' CG1' ' A' ' 51' ' ' ILE . 1.4 mp -101.08 113.96 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.661 ' HA ' HG23 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -77.48 118.24 19.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.555 ' O ' HD12 ' A' ' 170' ' ' LEU . 1.6 pp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.86 0.362 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.66 ' O ' HG22 ' A' ' 114' ' ' THR . . . -153.79 -179.48 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 p -132.01 156.49 46.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -68.22 -11.81 59.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.7 p -56.23 -21.66 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 40.04 1.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.417 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 18.1 ttp85 -124.57 100.06 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.5 t30 54.59 46.7 24.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.504 ' CD2' HG21 ' A' ' 114' ' ' THR . 23.4 t80 -100.0 140.52 34.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -129.91 95.73 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.935 HG23 HD11 ' A' ' 34' ' ' ILE . 9.2 p -74.27 -15.77 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.61 -30.88 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -56.02 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.935 HD11 HG23 ' A' ' 31' ' ' VAL . 46.2 pt -56.29 -21.74 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -62.71 126.7 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.61 -171.24 22.05 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.459 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -60.86 119.4 8.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.838 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.5 m95 -106.82 178.85 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -162.7 148.16 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.35 99.09 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.645 HG21 HD12 ' A' ' 145' ' ' LEU . 9.7 mm -65.33 -70.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.64 HG12 HG22 ' A' ' 41' ' ' ILE . 23.3 mm -142.93 146.63 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.556 HD23 HG22 ' A' ' 51' ' ' ILE . 1.1 tp -117.28 126.15 52.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.526 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -132.05 129.19 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.517 ' OG ' HD12 ' A' ' 51' ' ' ILE . 13.6 p -171.34 151.18 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.3 t70 -68.55 81.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.626 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.94 75.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.69 ' HD2' HD11 ' A' ' 168' ' ' ILE . 9.9 mmm-85 -55.02 -28.83 55.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.6 -7.11 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -100.68 -45.43 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -104.61 45.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -172.54 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -49.45 -52.28 30.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -115.09 57.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.15 -167.96 44.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.559 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -116.89 -13.85 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -109.65 2.26 20.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -82.93 4.9 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.635 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.1 pp -50.04 150.54 2.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.07 131.64 34.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' A' ' 38' ' ' TRP . 45.7 tp -74.22 149.33 40.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.33 -170.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -80.25 107.36 12.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.838 HD12 ' CD1' ' A' ' 38' ' ' TRP . 13.1 mt -62.0 132.81 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.449 ' HB3' ' HB ' ' A' ' 72' ' ' VAL . 48.2 t60 -106.05 99.16 8.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.493 HG22 HG22 ' A' ' 31' ' ' VAL . 75.7 t -54.23 139.73 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.72 HD11 ' CG2' ' A' ' 72' ' ' VAL . 18.3 mt -129.83 -167.98 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.64 -55.4 19.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.59 9.47 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.428 ' HB2' HD12 ' A' ' 67' ' ' LEU . 5.8 m -131.82 -179.59 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.482 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -144.57 121.6 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.72 ' CG2' HD11 ' A' ' 67' ' ' LEU . 18.8 t -80.63 111.54 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.592 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.3 pt? -122.23 133.47 54.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -112.85 151.56 30.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.573 ' CB ' HD22 ' A' ' 59' ' ' LEU . 18.4 m-85 -121.11 167.51 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -120.82 99.89 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 59' ' ' LEU . 75.7 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.476 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -111.19 179.25 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.8 p -122.15 113.96 20.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.418 ' HE3' HD12 ' A' ' 86' ' ' LEU . 16.1 mmt -118.92 159.35 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.9 t -149.86 102.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.57 114.68 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.15 179.78 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.3 172.07 14.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 100' ' ' SER . 17.8 p -144.91 179.47 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.7 -24.89 59.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 175.24 9.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.81 107.11 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 105.19 -31.43 8.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.66 ' HA ' HG22 ' A' ' 110' ' ' THR . 3.3 tt0 -80.87 109.95 15.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 0.0 110.835 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.482 ' CE2' HD21 ' A' ' 71' ' ' LEU . 6.7 m-85 -89.91 160.95 16.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.432 ' HB3' HG22 ' A' ' 93' ' ' THR . 1.1 t -123.95 127.56 48.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 p -121.06 139.97 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.1 m -74.12 92.44 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.61 172.15 6.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -50.38 -26.62 5.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.96 169.05 28.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -50.02 118.66 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.377 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.41 167.4 30.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.54 130.38 13.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.669 ' CB ' HD12 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -107.88 142.94 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.66 HG22 ' HA ' ' A' ' 98' ' ' GLU . 8.3 p -142.72 177.41 8.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 121' ' ' MET . 37.5 mt -137.21 90.84 15.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.633 0.73 . . . . 0.0 111.176 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.75 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' HZ3' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -115.35 108.09 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.2 t -105.96 88.08 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.75 51.54 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -44.82 -32.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -51.43 -42.59 61.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -121.14 -70.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.509 ' CD2' HG23 ' A' ' 149' ' ' ILE . 52.6 p90 -136.62 132.16 34.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.9 tp -94.11 147.81 22.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.52 ' O ' HG23 ' A' ' 111' ' ' ILE . 2.8 mtt -125.36 147.09 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.93 133.96 24.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -115.87 115.04 25.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.669 HD12 ' CB ' ' A' ' 109' ' ' PHE . 3.7 tt -125.97 151.53 46.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mt -140.96 133.22 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -123.47 128.18 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -116.23 99.6 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -138.45 156.27 47.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.0 t0 62.67 24.22 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.15 1.69 80.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -125.97 155.07 41.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.4 t -144.16 159.49 42.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -150.48 152.37 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -90.2 108.51 19.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.637 HD13 ' N ' ' A' ' 136' ' ' MET . 3.3 tm? -94.86 139.51 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.637 ' N ' HD13 ' A' ' 135' ' ' LEU . 6.0 mtt -138.35 113.79 9.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.977 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.482 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -104.06 109.81 3.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.443 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.94 126.61 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.605 ' N ' HD23 ' A' ' 138' ' ' LEU . 13.4 m-85 -121.85 148.03 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.18 153.32 25.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -51.44 -27.99 11.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.704 0.288 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.409 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -112.17 162.29 22.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.69 0.757 . . . . 0.0 110.862 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.5 Cg_endo -69.73 -6.03 17.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -150.17 139.29 21.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.645 HD12 HG21 ' A' ' 41' ' ' ILE . 24.0 mt -108.87 144.72 36.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 178.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.8 m -79.55 -4.59 52.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.94 -33.62 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.627 ' CG2' HD13 ' A' ' 145' ' ' LEU . 74.0 mt -90.57 -44.54 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -28.0 39.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.86 -30.03 58.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -62.95 -35.01 78.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 16.6 t80 -73.01 -39.61 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.63 -23.78 43.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -66.88 -51.94 49.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.438 HD22 ' HZ3' ' A' ' 113' ' ' LYS . 11.6 tp -62.39 -24.66 67.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 62.9 m -66.7 -67.57 0.44 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -55.59 -25.55 39.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.71 -26.1 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -94.19 0.68 55.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 102.39 0.86 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 31.7 mt -95.32 101.3 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.36 . . . . 0.0 111.199 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.44 148.25 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.69 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.1 OUTLIER -61.52 -22.2 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.658 ' HB2' HD12 ' A' ' 163' ' ' LEU . 13.6 mm-40 -74.45 -22.51 59.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.549 ' O ' HD12 ' A' ' 168' ' ' ILE . 38.3 m-20 -79.3 -4.63 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.69 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -73.55 109.6 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.69 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.6 mp -102.79 130.09 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 42' ' ' ILE . 6.9 m-20 -84.89 136.82 33.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 170' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.54 ' O ' HG22 ' A' ' 114' ' ' THR . . . -167.49 -179.44 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -136.08 160.26 39.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.06 -8.06 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 p -59.08 -19.3 43.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.47 40.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -129.13 99.94 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.02 43.41 24.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD1' HG21 ' A' ' 114' ' ' THR . 31.1 t80 -94.82 137.53 33.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -129.94 93.52 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.782 HG23 HD11 ' A' ' 34' ' ' ILE . 7.9 p -74.87 -11.97 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -73.16 -12.21 60.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -89.3 -53.16 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.782 HD11 HG23 ' A' ' 31' ' ' VAL . 21.2 pt -56.49 -22.67 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -60.67 126.71 28.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.84 179.63 16.36 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.607 ' N ' HE21 ' A' ' 63' ' ' GLN . 40.0 mt-10 -53.98 119.59 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.79 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.8 m95 -105.47 -178.78 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -163.0 144.7 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.468 HG22 HD21 ' A' ' 170' ' ' LEU . 2.8 m -93.59 99.74 12.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.735 HG21 HD12 ' A' ' 145' ' ' LEU . 8.3 mm -68.32 -68.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 169' ' ' ASP . 22.5 mm -140.31 150.14 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.662 HD12 ' HA2' ' A' ' 137' ' ' GLY . 4.7 tp -120.79 123.57 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -129.2 130.54 46.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.2 t -170.33 150.14 3.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.9 t0 -70.85 81.27 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.78 65.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.641 ' CD ' HD11 ' A' ' 168' ' ' ILE . 2.7 mmm180 -52.69 -33.75 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.58 -12.61 54.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.551 ' NZ ' HD23 ' A' ' 135' ' ' LEU . 3.5 ttpp -101.05 -34.03 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.734 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -108.29 42.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.13 -170.69 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -45.88 -49.65 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -107.55 47.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.42 -179.79 47.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -118.64 -20.91 8.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 110.809 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -103.8 -0.42 29.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -85.96 50.83 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -104.67 156.1 18.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.91 160.43 28.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.7 tp -103.6 151.39 22.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -171.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.607 HE21 ' N ' ' A' ' 37' ' ' GLU . 9.5 tt0 -81.13 107.47 13.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.79 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.7 mt -63.58 139.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.08 99.84 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.26 101.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.622 HD11 HG23 ' A' ' 72' ' ' VAL . 20.8 mt -85.14 -166.39 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -54.96 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -131.29 -20.19 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m -108.35 -179.19 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.797 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -143.1 138.01 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.622 HG23 HD11 ' A' ' 67' ' ' LEU . 61.4 t -97.79 115.23 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.597 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.5 pt? -123.27 133.97 54.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -118.45 151.57 37.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.757 ' HB3' HD22 ' A' ' 59' ' ' LEU . 93.5 m-85 -129.87 -173.97 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.958 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -149.55 106.04 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.707 ' CG2' HD23 ' A' ' 59' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.691 ' H ' HD23 ' A' ' 86' ' ' LEU . 2.6 pt? -124.17 -179.78 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.8 p -140.37 135.11 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.438 ' HE3' ' CD1' ' A' ' 103' ' ' TYR . 7.0 mmt -135.42 165.75 24.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.9 p -150.41 112.54 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.82 118.86 21.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.39 155.11 20.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -72.04 165.07 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.522 HG21 ' HB3' ' A' ' 100' ' ' SER . 53.3 p -151.0 -179.9 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -78.43 -12.32 60.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -58.73 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.59 99.64 8.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.91 15.14 59.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.71 ' HA ' HG22 ' A' ' 110' ' ' THR . 4.1 tt0 -112.22 108.34 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.543 ' CE2' HD21 ' A' ' 71' ' ' LEU . 4.8 m-85 -80.21 162.68 24.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.522 ' HB3' HG21 ' A' ' 93' ' ' THR . 90.4 p -121.4 117.19 26.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 13.3 p -111.66 131.27 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.3 m -69.76 92.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.438 ' CD1' ' HE3' ' A' ' 88' ' ' MET . 0.7 OUTLIER -107.06 172.69 6.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.8 -27.56 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.45 161.71 27.67 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -49.54 119.57 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.662 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -156.67 169.97 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.63 126.27 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.84 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.4 t80 -99.09 128.25 45.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.71 HG22 ' HA ' ' A' ' 98' ' ' GLU . 10.9 p -133.16 174.86 9.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.169 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.54 HD11 ' HZ ' ' A' ' 109' ' ' PHE . 40.7 mt -139.0 89.9 12.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 54.1 Cg_endo -69.65 -48.81 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.556 ' HD3' HD22 ' A' ' 156' ' ' LEU . 1.6 mptm? -112.55 107.97 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.625 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.7 t -110.51 89.57 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.72 51.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.78 -32.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.978 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -47.47 -45.66 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -122.32 -69.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.585 ' CD2' HG23 ' A' ' 149' ' ' ILE . 25.1 p90 -133.59 133.6 42.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 114' ' ' THR . 23.2 tp -92.62 150.69 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.638 ' CE ' HD23 ' A' ' 156' ' ' LEU . 7.3 mmm -132.87 136.46 46.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.03 163.6 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.563 ' CE1' HD11 ' A' ' 125' ' ' ILE . 13.6 t-160 -143.27 114.29 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.84 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.4 tt -125.16 136.58 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 123' ' ' HIS . 21.6 mt -125.15 130.4 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.037 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -121.1 128.28 52.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -114.09 99.54 7.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.93 157.02 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.68 24.22 14.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.22 1.15 79.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.558 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -126.6 155.71 42.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.4 t -140.94 158.49 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -147.96 153.08 38.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -93.29 109.98 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.551 HD23 ' NZ ' ' A' ' 50' ' ' LYS . 3.1 tm? -98.83 135.16 40.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.47 ' H ' HD22 ' A' ' 135' ' ' LEU . 3.4 mtp -140.21 112.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.662 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -102.5 117.22 5.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 139' ' ' TYR . 3.5 tp -85.27 126.92 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.652 ' N ' HD12 ' A' ' 138' ' ' LEU . 22.8 m-85 -119.65 153.82 34.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -140.84 149.3 20.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -52.83 -24.08 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.0 OUTLIER -116.02 163.36 21.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.749 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.2 Cg_endo -69.79 -3.68 12.51 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.256 . . . . 0.0 112.362 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -150.41 139.17 20.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.735 HD12 HG21 ' A' ' 41' ' ' ILE . 17.2 mt -109.38 148.13 31.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.8 t -74.42 -179.85 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.0 m -81.13 -5.96 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -30.76 17.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.585 HG23 ' CD2' ' A' ' 119' ' ' PHE . 92.5 mt -90.84 -44.34 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -53.31 -31.17 42.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -71.74 -31.42 66.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -64.73 -19.83 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.597 ' HB2' HD22 ' A' ' 138' ' ' LEU . 12.5 t80 -82.93 -43.67 16.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.31 -25.29 33.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -63.04 -59.74 4.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.638 HD23 ' CE ' ' A' ' 121' ' ' MET . 16.7 tp -61.57 -28.58 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 91.4 m -58.2 -68.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.42 -25.94 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -73.16 -30.48 63.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -90.5 6.86 41.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.49 22.63 31.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.537 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.62 102.83 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 0.0 111.043 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.07 154.31 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.743 ' HA ' HD13 ' A' ' 167' ' ' ILE . 19.2 tpt85 -68.06 -23.54 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.588 ' HB2' HD12 ' A' ' 163' ' ' LEU . 4.7 mm-40 -71.65 -18.53 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.512 ' O ' HD12 ' A' ' 168' ' ' ILE . 28.7 m-20 -82.75 -9.57 59.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.743 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -70.77 109.79 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.734 HD13 HG13 ' A' ' 51' ' ' ILE . 1.3 mp -101.13 112.95 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.621 ' HA ' HD12 ' A' ' 42' ' ' ILE . 8.2 p-10 -78.13 121.69 24.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.468 HD21 HG22 ' A' ' 40' ' ' THR . 1.3 pp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 114' ' ' THR . . . -160.38 -179.33 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -133.87 155.18 50.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 p -69.41 -11.11 60.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.8 p -54.58 -24.29 20.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.55 40.16 1.38 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -129.03 99.81 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 58.84 43.99 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CD2' HG21 ' A' ' 114' ' ' THR . 31.8 t80 -99.41 142.37 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -128.99 102.9 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.875 HG23 HD11 ' A' ' 34' ' ' ILE . 8.3 p -84.61 -12.21 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.48 -21.61 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -80.49 -55.11 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.875 HD11 HG23 ' A' ' 31' ' ' VAL . 22.2 pt -56.67 -22.48 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -61.88 125.45 23.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.72 179.66 16.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -51.43 119.64 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.814 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.1 m95 -106.13 -178.58 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -162.57 149.26 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.58 99.71 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.647 HG21 HD12 ' A' ' 145' ' ' LEU . 6.7 mm -67.84 -68.5 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.575 HD13 ' O ' ' A' ' 41' ' ' ILE . 26.4 mm -139.07 146.09 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.519 HD12 ' HA2' ' A' ' 137' ' ' GLY . 4.0 tp -116.6 120.31 38.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -128.06 132.77 49.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.639 ' HB2' HD22 ' A' ' 135' ' ' LEU . 40.1 t -167.19 150.62 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.1 p-10 -69.52 81.5 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.68 73.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.773 ' HD2' HD11 ' A' ' 168' ' ' ILE . 13.9 mmm-85 -56.3 -26.68 52.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.61 -3.33 43.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.01 -50.68 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.847 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -94.5 40.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.97 -170.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.44 119.73 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 60.75 38.59 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.47 -160.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -118.9 -28.77 5.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -100.61 -11.13 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.689 ' CG ' HD11 ' A' ' 170' ' ' LEU . 63.4 ttp85 -74.79 71.48 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.644 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -122.78 156.18 35.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.31 150.67 29.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.689 HD23 ' HB3' ' A' ' 38' ' ' TRP . 29.3 tp -95.96 150.25 20.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.61 -172.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -81.62 108.18 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.814 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.5 mt -62.22 139.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 100.84 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 31' ' ' VAL . 90.2 t -65.18 106.09 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.73 HD11 HG23 ' A' ' 72' ' ' VAL . 29.6 mt -91.15 -167.97 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.89 -53.47 52.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -133.54 -17.13 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -109.04 -179.64 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -144.66 124.78 13.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.73 HG23 HD11 ' A' ' 67' ' ' LEU . 57.4 t -86.04 118.02 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.713 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.1 pt? -123.58 137.06 54.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -119.44 153.02 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.713 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 82.4 m-85 -130.75 169.1 16.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -118.57 114.82 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.822 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.644 ' CG2' HD23 ' A' ' 59' ' ' LEU . 30.1 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 86' ' ' LEU . 1.2 pt? -110.79 173.18 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -122.18 131.4 53.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -133.62 166.84 21.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 89' ' ' VAL . 2.6 p -150.49 103.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.97 103.45 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.45 170.68 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -85.63 166.14 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.448 HG21 ' HB3' ' A' ' 100' ' ' SER . 64.5 p -150.42 166.6 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -18.02 58.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -58.32 -179.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.78 109.8 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 57.02 30.88 60.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.64 ' HA ' HG22 ' A' ' 110' ' ' THR . 7.8 tt0 -126.08 112.12 15.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.643 ' CE2' HD21 ' A' ' 71' ' ' LEU . 27.3 m-85 -87.18 156.41 19.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.448 ' HB3' HG21 ' A' ' 93' ' ' THR . 45.9 p -115.4 117.8 31.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.9 p -112.81 134.56 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 m -71.44 92.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -106.83 172.01 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -49.58 -26.77 3.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.61 163.67 28.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -49.82 117.3 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.676 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -153.28 170.29 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.73 123.91 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.829 ' HB2' HD12 ' A' ' 124' ' ' LEU . 0.8 OUTLIER -99.56 128.98 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 98' ' ' GLU . 5.0 p -134.07 176.37 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 121' ' ' MET . 24.6 mt -137.23 90.47 15.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.79 -48.26 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.78 2.32 . . . . 0.0 112.323 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.03 108.34 17.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.643 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.7 t -110.89 89.59 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.54 52.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.69 -32.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -50.04 -43.82 51.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -120.86 -69.56 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.589 ' CD2' HG23 ' A' ' 149' ' ' ILE . 19.1 p90 -137.12 133.57 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 114' ' ' THR . 20.4 tp -91.69 149.15 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.496 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.1 mtm -131.77 138.01 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.67 154.7 49.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.457 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.8 t-160 -134.38 117.42 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.829 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.4 tt -126.38 151.97 46.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' A' ' 123' ' ' HIS . 34.5 mt -141.66 127.14 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -119.73 125.35 48.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -111.03 99.87 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -138.51 157.04 46.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.19 29.02 18.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.09 7.16 66.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.554 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -132.11 152.76 51.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.5 158.33 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -148.36 151.47 35.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -93.08 106.48 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -92.88 139.93 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.684 ' N ' HD13 ' A' ' 135' ' ' LEU . 15.1 ttm -140.2 116.1 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.519 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -109.8 112.38 3.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.677 HD21 HD12 ' A' ' 145' ' ' LEU . 12.5 tp -80.25 140.05 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.518 ' H ' HD12 ' A' ' 138' ' ' LEU . 17.6 m-85 -133.97 156.34 48.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.66 153.82 25.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -53.67 -26.6 23.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.409 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.9 OUTLIER -107.78 162.86 18.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.754 0.788 . . . . 0.0 110.816 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.1 Cg_endo -69.72 -6.6 18.96 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -152.86 149.71 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.677 HD12 HD21 ' A' ' 138' ' ' LEU . 33.3 mt -113.27 149.68 33.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.8 t -74.79 -179.79 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.3 m -78.68 -5.64 53.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.33 -33.33 16.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.589 HG23 ' CD2' ' A' ' 119' ' ' PHE . 89.8 mt -90.86 -44.77 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -31.3 43.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -70.81 -31.5 68.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -66.16 -21.47 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -80.72 -47.72 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.0 -25.42 29.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -57.23 -56.57 20.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.65 HD23 ' SD ' ' A' ' 136' ' ' MET . 13.6 tp -66.84 -26.34 66.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 86.3 m -65.19 -68.64 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.47 -25.31 62.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.32 -23.65 60.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -100.52 10.1 41.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 100.03 -16.37 58.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 43.2 mt -77.2 92.11 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.677 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.11 169.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.822 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -66.03 -36.54 83.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.677 ' HB2' HD12 ' A' ' 163' ' ' LEU . 18.4 mm-40 -60.88 -18.38 55.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -83.31 -12.51 56.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.822 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.9 mp -78.27 109.58 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.847 HD13 HG13 ' A' ' 51' ' ' ILE . 1.9 mp -102.37 126.13 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.545 ' HA ' HD12 ' A' ' 42' ' ' ILE . 9.4 m-20 -81.13 125.31 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.689 HD11 ' CG ' ' A' ' 58' ' ' ARG . 4.2 mm? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.708 ' O ' HG22 ' A' ' 114' ' ' THR . . . -145.33 -178.42 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 p -129.37 163.55 25.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 p -72.83 -6.57 45.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.3 p -52.09 -24.19 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.24 40.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.33 121.89 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.427 ' OD1' ' HB2' ' A' ' 22' ' ' ALA . 0.7 OUTLIER 39.48 44.21 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.528 ' CD2' HG21 ' A' ' 114' ' ' THR . 34.5 t80 -100.1 131.97 45.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -120.67 108.65 14.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.834 HG23 HD11 ' A' ' 34' ' ' ILE . 10.5 p -89.31 -15.03 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.14 -11.38 60.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -90.1 -54.86 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.834 HD11 HG23 ' A' ' 31' ' ' VAL . 31.9 pt -54.52 -25.79 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.048 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -57.45 130.52 46.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.12 -178.45 17.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.91 119.35 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.764 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.1 m95 -105.69 179.64 4.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -161.81 147.06 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -92.59 99.46 12.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.704 HG21 HD12 ' A' ' 145' ' ' LEU . 12.0 mm -70.89 -69.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 169' ' ' ASP . 26.5 mm -140.28 148.5 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.579 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.3 tp -117.03 133.64 55.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.565 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -139.36 129.25 24.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.5 ' HB2' HD22 ' A' ' 135' ' ' LEU . 44.4 t -170.77 148.37 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 30.1 t0 -68.84 81.25 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.535 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.85 74.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.601 ' HD2' HD11 ' A' ' 168' ' ' ILE . 9.5 mmm-85 -55.02 -28.58 53.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.42 -5.07 43.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.51 -43.13 6.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -110.16 50.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -171.46 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -49.77 -37.9 31.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -122.76 68.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.83 -173.73 20.7 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.433 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -117.67 -25.77 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -90.36 -19.76 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -77.26 59.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -116.2 156.97 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.8 159.89 33.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 38' ' ' TRP . 58.3 tp -107.46 153.3 23.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.51 -172.03 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -81.57 108.01 14.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.764 HD12 ' CD1' ' A' ' 38' ' ' TRP . 4.1 mt -63.05 140.11 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -105.56 99.14 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.532 HG22 HG22 ' A' ' 31' ' ' VAL . 69.2 t -63.86 128.58 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.471 HD12 ' HB2' ' A' ' 70' ' ' SER . 16.3 mt -116.82 -167.68 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -54.34 -53.21 56.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -133.28 -20.05 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.471 ' HB2' HD12 ' A' ' 67' ' ' LEU . 4.7 m -108.43 -179.68 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -155.05 122.82 5.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.872 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.441 HG23 HD11 ' A' ' 67' ' ' LEU . 47.1 t -79.83 147.73 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.67 131.07 15.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -107.43 152.83 23.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.712 ' HB3' HD22 ' A' ' 59' ' ' LEU . 92.9 m-85 -131.83 172.24 12.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -118.61 126.55 52.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.812 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.632 ' CG2' HD23 ' A' ' 59' ' ' LEU . 74.1 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.931 0.395 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.532 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.8 OUTLIER -103.95 176.59 5.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -134.43 111.89 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.532 ' CE ' HD12 ' A' ' 86' ' ' LEU . 25.5 mmt -107.45 164.58 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.474 HG22 ' OD1' ' A' ' 91' ' ' ASP . 4.2 p -150.38 116.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.708 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -98.5 116.69 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.474 ' OD1' HG22 ' A' ' 89' ' ' VAL . 5.5 m-20 -115.2 160.13 20.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -69.08 152.49 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.524 HG21 ' HB3' ' A' ' 100' ' ' SER . 71.1 p -140.16 177.14 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -57.17 -23.85 50.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -58.18 179.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.03 106.89 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.42 32.54 83.36 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 110' ' ' THR . 11.8 tt0 -128.41 116.38 19.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.708 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 48.4 m-85 -79.32 169.37 18.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.524 ' HB3' HG21 ' A' ' 93' ' ' THR . 56.6 p -131.36 117.77 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 m -110.93 170.44 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.0 m -111.42 91.45 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.41 173.12 6.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -48.25 -28.1 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.58 162.18 26.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -49.78 122.66 6.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.615 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -159.51 166.26 31.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -140.09 137.15 34.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.798 ' HB2' HD12 ' A' ' 124' ' ' LEU . 6.0 t80 -102.26 138.79 38.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 98' ' ' GLU . 17.1 p -146.43 174.06 11.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 121' ' ' MET . 12.3 mt -136.87 95.54 12.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.695 . . . . 0.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.4 Cg_endo -69.86 -47.49 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.308 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.31 108.92 16.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.4 t -106.87 88.35 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -112.87 52.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -32.58 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.85 -44.17 49.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -121.06 -70.23 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.615 ' CD1' HG23 ' A' ' 149' ' ' ILE . 21.2 p90 -134.85 132.84 39.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.4 tp -92.17 148.46 22.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.633 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.7 ttm -125.09 147.32 49.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.6 161.89 35.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.477 ' CE1' HD11 ' A' ' 125' ' ' ILE . 8.8 t-160 -149.94 106.67 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.7 tt -120.8 124.59 45.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.477 HD11 ' CE1' ' A' ' 123' ' ' HIS . 64.3 mt -107.16 133.43 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -125.72 123.0 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -108.98 103.4 12.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 156.05 41.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.08 33.93 11.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.74 11.89 58.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -139.21 152.55 47.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.41 158.41 44.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -155.31 155.36 33.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -102.36 107.08 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.682 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -89.35 140.36 29.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.682 ' N ' HD13 ' A' ' 135' ' ' LEU . 53.3 mtm -138.48 108.97 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.579 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -98.0 116.74 5.62 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.511 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.64 125.21 29.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.616 ' N ' HD23 ' A' ' 138' ' ' LEU . 21.8 m-85 -120.19 155.35 33.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.43 157.49 27.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -47.19 -53.36 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 2.0 mt-10 -93.17 161.01 32.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.2 Cg_endo -69.89 -5.87 17.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.31 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -140.03 132.92 29.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.704 HD12 HG21 ' A' ' 41' ' ' ILE . 23.4 mt -108.51 138.42 44.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -62.78 175.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.3 m -77.1 -9.13 58.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -86.92 -32.37 20.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.615 HG23 ' CD1' ' A' ' 119' ' ' PHE . 83.4 mt -90.94 -47.47 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -31.15 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -71.11 -28.51 64.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -59.97 -42.76 94.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 12.9 t80 -66.4 -25.45 66.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.698 ' HB1' ' CD ' ' A' ' 164' ' ' ARG . . . -76.62 -16.17 59.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -78.83 -28.53 44.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.49 HD22 ' SD ' ' A' ' 121' ' ' MET . 3.0 tp -91.27 -36.3 13.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 9.3 p -49.87 -33.54 17.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.38 -40.37 67.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -70.92 -10.81 60.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -104.95 5.89 33.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.16 -19.21 47.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 25.7 mt -74.74 99.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 111.074 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.68 148.25 4.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.698 ' CD ' ' HB1' ' A' ' 154' ' ' ALA . 1.3 mmm-85 -59.51 -22.53 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.643 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.5 mt-10 -78.03 -25.71 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.577 ' O ' HD12 ' A' ' 168' ' ' ILE . 11.7 m-20 -70.54 -11.04 60.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.565 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -70.29 113.91 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.601 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -99.73 114.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.644 ' HA ' HD12 ' A' ' 42' ' ' ILE . 2.4 m-20 -89.08 122.44 32.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 114' ' ' THR . . . -167.45 -178.68 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.34 160.83 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -9.77 58.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.6 p -58.25 -20.25 40.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.34 40.16 1.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.565 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -124.45 100.3 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 51.83 48.38 22.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.49 ' CD2' HG21 ' A' ' 114' ' ' THR . 27.5 t80 -99.88 139.56 35.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -130.04 105.18 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.883 HG23 HD11 ' A' ' 34' ' ' ILE . 8.9 p -85.08 -14.52 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.49 -12.7 61.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -89.66 -57.15 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.883 HD11 HG23 ' A' ' 31' ' ' VAL . 25.5 pt -52.5 -27.44 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -55.95 148.02 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.32 -167.98 12.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' N ' HE21 ' A' ' 63' ' ' GLN . 49.9 mt-10 -64.35 120.03 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 110.833 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.768 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.3 m95 -103.84 -178.07 3.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -162.88 144.27 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.44 99.6 11.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.696 HG21 HD12 ' A' ' 145' ' ' LEU . 7.8 mm -68.59 -68.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 41' ' ' ILE . 25.5 mm -140.65 146.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.647 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.3 tp -118.98 141.04 49.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.669 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -145.99 133.38 20.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.507 ' OG ' HD12 ' A' ' 51' ' ' ILE . 54.2 p -170.89 147.99 2.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 52.6 t0 -67.64 80.33 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.615 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.17 77.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.813 ' HD2' HD11 ' A' ' 168' ' ' ILE . 6.0 mmm180 -54.74 -28.62 49.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -75.3 -6.36 49.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.52 -41.92 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.747 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -108.1 47.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.69 -172.58 2.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.39 -40.29 49.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -119.31 69.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.61 -172.05 19.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.548 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -115.29 -28.65 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -91.97 -11.75 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -83.74 67.0 9.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.964 HD23 HG23 ' A' ' 77' ' ' THR . 0.3 OUTLIER -126.1 154.13 43.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.65 133.18 42.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.1 tp -77.88 152.54 33.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -109.51 -171.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.466 HE21 ' N ' ' A' ' 37' ' ' GLU . 4.1 tt0 -80.32 108.55 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.768 HD12 ' CD1' ' A' ' 38' ' ' TRP . 46.5 mt -70.17 136.02 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.16 136.73 41.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -95.48 118.39 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.592 HD21 HG23 ' A' ' 72' ' ' VAL . 1.8 mm? -108.29 -170.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.87 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -139.79 10.21 2.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.421 ' C ' HD23 ' A' ' 71' ' ' LEU . 1.4 m -124.41 179.06 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -148.86 116.45 6.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.592 HG23 HD21 ' A' ' 67' ' ' LEU . 92.5 t -82.42 118.72 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.744 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.5 pt? -122.84 135.03 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -118.94 152.08 36.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.791 ' HB3' HD22 ' A' ' 59' ' ' LEU . 77.2 m-85 -130.44 175.59 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -129.89 115.1 16.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.964 HG23 HD23 ' A' ' 59' ' ' LEU . 1.4 p . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.858 0.361 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -110.67 -179.63 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -132.7 105.39 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.469 ' SD ' HD12 ' A' ' 86' ' ' LEU . 20.7 mmt -107.71 161.44 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 89' ' ' VAL . 4.1 p -150.26 116.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.97 112.28 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.56 165.59 11.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -76.42 167.46 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.5 p -150.27 -179.65 7.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -81.82 -0.08 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -77.78 -176.6 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.87 115.07 29.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 52.66 31.53 37.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.71 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.6 tt0 -132.15 104.74 6.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.75 161.76 24.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 t -120.89 121.55 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.3 p -112.95 132.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.6 m -69.37 92.19 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.83 172.97 6.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.05 -26.62 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.938 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.96 163.99 28.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.432 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -49.67 121.38 5.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.69 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -159.13 169.16 24.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.66 127.28 19.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.823 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.3 t80 -99.56 131.08 45.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.71 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.9 p -136.14 177.89 7.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.632 HG23 ' O ' ' A' ' 121' ' ' MET . 37.6 mt -139.94 97.36 7.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.614 0.721 . . . . 0.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 54.1 Cg_endo -69.72 -48.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.17 109.1 14.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.697 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.5 t -102.7 88.71 3.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.83 50.19 0.94 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.55 -33.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -47.21 -45.6 23.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -122.11 -69.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CD2' HG23 ' A' ' 149' ' ' ILE . 33.0 p90 -132.84 131.16 40.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 114' ' ' THR . 19.9 tp -92.58 150.23 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.632 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.8 ttt -126.71 135.93 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -135.89 143.78 45.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.539 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.9 t-80 -128.69 110.7 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.796 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.823 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.9 tt -120.45 140.57 51.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' A' ' 123' ' ' HIS . 23.0 mt -127.13 131.47 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -122.63 132.7 54.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -119.78 99.55 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -136.6 157.39 46.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 59.86 24.32 13.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.33 0.44 78.07 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.418 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -122.87 153.16 40.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -143.79 159.08 43.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -149.95 154.23 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -91.9 109.25 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 136' ' ' MET . 3.4 tm? -96.8 140.43 31.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.667 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.3 OUTLIER -145.86 109.56 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.647 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -100.25 120.36 6.85 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 139' ' ' TYR . 3.0 tp -89.86 118.93 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.511 ' N ' HD12 ' A' ' 138' ' ' LEU . 22.3 m-85 -111.58 157.92 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -147.47 148.61 20.33 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.574 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -30.26 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.532 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.2 mm-40 -110.53 160.62 27.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.737 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.4 Cg_endo -69.74 -4.66 14.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -147.52 136.54 22.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 41' ' ' ILE . 23.3 mt -108.74 143.37 37.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.0 t -69.08 176.41 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 m -77.84 -4.23 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -32.68 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.538 HG23 ' CD2' ' A' ' 119' ' ' PHE . 93.0 mt -90.59 -45.87 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -54.99 -29.37 56.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -74.44 -30.48 61.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -57.24 -41.58 79.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.813 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 44' ' ' ALA . 15.6 t80 -67.43 -39.57 85.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.583 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -56.82 -20.1 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.02 -24.5 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 41.6 tp -90.16 -36.17 14.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 13.6 p -57.97 -35.99 71.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -70.95 -30.98 67.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -74.36 -27.03 60.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -91.22 6.62 44.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.26 -19.98 43.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 19.2 mt -69.9 99.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.976 0.417 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.629 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.07 147.55 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.583 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 23.3 tpt180 -61.74 -18.19 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.797 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.629 ' HB2' HD12 ' A' ' 163' ' ' LEU . 19.2 mm-40 -82.62 -11.16 58.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.623 ' O ' HD12 ' A' ' 168' ' ' ILE . 19.2 m-20 -88.55 -8.55 54.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.669 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -70.75 113.88 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.813 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -98.64 135.49 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -75.67 134.01 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.656 ' O ' HG22 ' A' ' 114' ' ' THR . . . -157.47 -179.15 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 p -130.02 154.11 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -11.48 59.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.0 p -53.86 -23.9 14.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.59 40.22 1.37 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -125.98 99.9 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.0 t30 56.67 46.25 20.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CD2' HG21 ' A' ' 114' ' ' THR . 21.4 t80 -100.1 141.41 32.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -128.2 96.83 4.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.829 HG23 HD11 ' A' ' 34' ' ' ILE . 8.3 p -79.7 -15.07 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -68.8 -11.62 60.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.78 -55.34 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.829 HD11 HG23 ' A' ' 31' ' ' VAL . 25.8 pt -55.13 -24.4 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.539 ' ND2' HG22 ' A' ' 66' ' ' VAL . 15.6 t-20 -58.76 130.08 45.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.52 -178.82 16.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.54 119.67 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.803 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.8 m95 -106.82 179.34 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.24 143.14 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.51 99.73 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.135 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.581 ' O ' HD13 ' A' ' 42' ' ' ILE . 6.8 mm -68.08 -68.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.581 HD13 ' O ' ' A' ' 41' ' ' ILE . 28.2 mm -138.33 147.6 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.627 HD12 ' HA2' ' A' ' 137' ' ' GLY . 6.3 tp -120.17 132.18 55.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.628 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -136.82 129.91 31.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.484 ' OG ' HD12 ' A' ' 51' ' ' ILE . 86.8 p -162.46 148.06 12.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 18.1 t0 -68.93 80.12 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.553 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.73 74.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.774 ' HD2' HD11 ' A' ' 168' ' ' ILE . 16.0 mmm-85 -54.84 -29.81 56.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.5 -6.37 46.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -50.2 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.823 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -94.0 40.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.4 -173.66 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -50.49 121.94 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 60.41 35.45 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.63 -160.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -118.79 -28.82 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.56 ' CD2' HD13 ' A' ' 135' ' ' LEU . 3.3 m-85 -96.98 -16.38 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.788 ' HG2' HD11 ' A' ' 170' ' ' LEU . 0.1 OUTLIER -72.47 78.39 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.695 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -132.16 154.43 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.84 159.41 28.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.626 HD23 ' HB3' ' A' ' 38' ' ' TRP . 48.7 tp -102.8 152.14 21.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -108.72 -172.78 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -81.2 108.26 14.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.803 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.5 mt -64.19 139.73 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -105.66 99.62 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.542 ' CG1' HG22 ' A' ' 31' ' ' VAL . 19.6 m -65.48 122.35 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.529 HD11 HG23 ' A' ' 72' ' ' VAL . 13.3 mt -109.86 -167.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -58.67 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -127.54 -19.2 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -108.75 -179.4 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.49 122.8 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.529 HG23 HD11 ' A' ' 67' ' ' LEU . 43.4 t -79.97 148.34 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.473 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.6 pt? -149.66 134.76 18.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -114.93 151.82 33.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.519 ' HB3' HD22 ' A' ' 59' ' ' LEU . 95.8 m-85 -128.78 172.48 11.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -124.64 114.58 19.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.695 ' CG2' HD23 ' A' ' 59' ' ' LEU . 14.5 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.153 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.913 0.387 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.685 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -109.38 -179.45 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.4 p -127.52 128.7 46.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.685 ' CE ' HD12 ' A' ' 86' ' ' LEU . 17.9 mmt -129.1 157.25 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 89' ' ' VAL . 2.6 p -150.31 100.4 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.59 124.29 30.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -122.4 164.67 17.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.24 155.6 39.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.3 p -142.04 171.35 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -57.64 -23.57 51.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -60.46 178.58 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.2 108.52 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.62 29.01 73.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.551 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.687 ' HA ' HG22 ' A' ' 110' ' ' THR . 11.5 tt0 -127.98 105.37 8.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -79.61 169.98 17.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.74 127.82 37.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -116.92 170.45 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.8 m -104.01 91.65 4.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.08 172.39 6.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -50.34 -26.42 4.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.93 169.5 27.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -49.88 120.93 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.52 170.61 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.7 135.21 20.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.836 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.1 t80 -104.84 135.97 45.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.687 HG22 ' HA ' ' A' ' 98' ' ' GLU . 15.6 p -142.21 176.66 8.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 121' ' ' MET . 34.6 mt -138.96 95.46 9.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.67 -48.64 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 108.96 15.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.3 t -105.5 88.43 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.08 51.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.65 -33.17 1.72 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -51.54 -42.29 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -120.64 -70.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CD1' HG23 ' A' ' 149' ' ' ILE . 42.7 p90 -137.2 131.21 32.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 114' ' ' THR . 20.3 tp -92.38 150.29 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.52 ' O ' HG23 ' A' ' 111' ' ' ILE . 4.8 mmm -129.86 131.03 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.99 138.07 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.526 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.8 t-160 -120.37 112.93 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.836 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.7 tt -126.82 133.41 50.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.526 HD11 ' CE1' ' A' ' 123' ' ' HIS . 11.0 mt -117.81 135.26 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.49 119.13 33.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -111.34 99.77 8.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -147.6 159.87 43.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 63.94 34.71 11.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.25 19.35 63.97 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -149.32 157.15 43.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.8 t -144.42 159.94 41.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.511 ' HE2' HD12 ' A' ' 135' ' ' LEU . 0.8 OUTLIER -147.58 152.23 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.873 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -95.59 117.47 30.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 57' ' ' PHE . 4.9 tt -116.1 137.51 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.11 108.98 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.627 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -90.29 120.64 5.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 139' ' ' TYR . 3.7 tp -93.19 121.33 34.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.501 ' N ' HD12 ' A' ' 138' ' ' LEU . 19.1 m-85 -114.2 160.09 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.76 150.29 22.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -50.32 -31.02 13.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 0.0 110.816 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -105.71 161.23 23.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.557 0.694 . . . . 0.0 110.914 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.4 Cg_endo -69.75 -6.62 19.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -149.2 142.11 24.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.577 HD12 HG21 ' A' ' 41' ' ' ILE . 24.9 mt -108.95 141.2 41.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.2 t -65.47 179.64 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.5 m -79.26 -6.04 55.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.07 -32.62 17.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.577 HG22 HD13 ' A' ' 145' ' ' LEU . 84.8 mt -90.74 -47.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -31.05 43.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.84 -31.48 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -57.59 -44.22 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 9.0 t80 -65.1 -37.31 87.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.697 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -64.53 -18.41 64.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -81.17 -24.6 37.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 13.6 tp -90.31 -39.37 12.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 13.7 p -52.88 -34.59 55.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -70.94 -30.57 66.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -76.09 -24.4 55.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -93.26 6.65 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.31 -17.22 55.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.2 mt -73.0 99.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.34 148.34 3.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.697 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 27.6 tpt85 -58.57 -22.39 55.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.68 ' HB2' HD12 ' A' ' 163' ' ' LEU . 4.4 mm-40 -76.4 -25.62 54.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -71.49 -9.73 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.628 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -73.87 122.41 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.823 HD13 HG13 ' A' ' 51' ' ' ILE . 1.4 mp -112.33 114.92 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.546 ' HA ' HD12 ' A' ' 42' ' ' ILE . 5.7 p-10 -71.24 131.91 44.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.788 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.0 mm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.662 ' O ' HG22 ' A' ' 114' ' ' THR . . . -170.29 -178.82 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -132.0 156.68 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -10.59 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.2 p -54.28 -24.55 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.5 40.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -127.41 100.28 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 t30 56.1 47.44 19.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CD2' HG21 ' A' ' 114' ' ' THR . 29.3 t80 -100.1 141.99 32.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -127.77 107.12 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.78 HG23 HD11 ' A' ' 34' ' ' ILE . 9.2 p -89.61 -12.69 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -71.56 -14.9 62.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -86.01 -55.61 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.78 HD11 HG23 ' A' ' 31' ' ' VAL . 22.0 pt -54.74 -25.08 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -56.87 142.08 42.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.14 -174.74 15.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.444 ' N ' HE21 ' A' ' 63' ' ' GLN . 1.2 mm-40 -56.4 124.29 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.811 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.4 m95 -109.4 -177.68 3.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -162.79 144.4 10.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 99.53 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.725 HG21 HD12 ' A' ' 145' ' ' LEU . 8.0 mm -67.2 -67.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.571 HD13 ' O ' ' A' ' 41' ' ' ILE . 31.0 mm -139.53 145.81 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.716 HD12 ' HA2' ' A' ' 137' ' ' GLY . 4.5 tp -118.26 119.82 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -123.64 129.79 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.424 ' HB3' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -165.3 144.21 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.1 p30 -67.94 81.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.1 71.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.808 ' HD2' HD11 ' A' ' 168' ' ' ILE . 3.1 mmm180 -54.09 -30.57 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -72.96 -7.54 51.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.97 -50.41 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.792 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -92.89 40.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.828 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.63 -173.18 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.56 119.97 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 67.86 29.55 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.24 -163.52 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.7 -22.45 8.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -108.47 -14.82 14.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.92 60.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.677 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -116.89 149.57 39.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.5 159.54 33.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 38' ' ' TRP . 42.9 tp -103.09 151.76 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.64 -171.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.444 HE21 ' N ' ' A' ' 37' ' ' GLU . 5.1 tt0 -80.82 108.21 14.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.811 HD12 ' CD1' ' A' ' 38' ' ' TRP . 16.4 mt -66.17 140.26 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -105.87 126.72 52.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.1 t -86.12 118.19 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 67' ' ' LEU . 2.8 mm? -104.17 -175.54 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -48.02 -53.95 14.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -140.53 6.85 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.0 m -125.6 -179.65 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -147.23 121.78 9.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.465 HG23 HD21 ' A' ' 67' ' ' LEU . 84.5 t -89.08 115.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.738 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.2 pt? -115.4 134.44 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.66 152.85 33.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.738 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 72.4 m-85 -129.92 -173.38 3.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -143.01 122.27 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.677 ' CG2' HD23 ' A' ' 59' ' ' LEU . 2.1 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.88 0.372 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -104.32 178.56 4.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 p -141.71 116.12 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.6 mmt -125.2 164.98 19.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 89' ' ' VAL . 5.2 p -150.28 119.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.9 110.61 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.82 152.1 23.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -62.2 167.29 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.3 p -150.71 -179.81 7.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -78.21 -6.19 54.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -75.75 178.0 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.99 116.9 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.45 22.12 50.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.403 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.706 ' HA ' HG22 ' A' ' 110' ' ' THR . 8.0 tt0 -127.08 103.37 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -82.52 159.96 22.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.5 t -119.24 124.17 46.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.4 p -115.32 128.09 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.3 m -64.5 92.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.41 172.87 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.59 -27.46 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.01 164.18 27.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.523 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -49.73 120.95 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.686 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -158.27 169.93 23.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.97 126.9 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.832 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.6 t80 -99.41 131.04 45.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.706 HG22 ' HA ' ' A' ' 98' ' ' GLU . 12.4 p -136.89 175.15 9.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 121' ' ' MET . 47.7 mt -139.0 96.61 9.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.75 -48.66 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.22 . . . . 0.0 112.365 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.98 109.19 15.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.0 t -104.57 89.1 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.52 50.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.51 -33.36 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -47.33 -45.56 24.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.776 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -121.87 -69.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.542 ' CD1' HG23 ' A' ' 149' ' ' ILE . 26.2 p90 -133.72 131.0 38.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 114' ' ' THR . 21.0 tp -92.7 150.75 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.672 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.8 ttt -126.8 136.45 52.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.72 140.73 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.561 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.5 t-160 -126.7 112.41 15.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.832 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.8 tt -122.36 139.33 53.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.561 HD11 ' CE1' ' A' ' 123' ' ' HIS . 19.6 mt -125.62 131.63 71.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -121.8 133.67 54.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -120.55 99.72 6.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -137.41 156.43 48.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 60.47 28.06 17.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.25 6.21 68.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -129.32 151.19 50.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.982 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.6 t -141.98 160.11 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -150.96 152.73 33.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -89.75 108.25 19.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 136' ' ' MET . 3.3 tm? -97.12 139.64 32.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.656 ' N ' HD13 ' A' ' 135' ' ' LEU . 4.7 ttm -144.81 114.19 7.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.716 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -105.44 109.55 3.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.667 HD22 ' HB2' ' A' ' 153' ' ' PHE . 7.0 tp -80.56 120.58 24.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.478 ' CE1' HD22 ' A' ' 61' ' ' LEU . 17.7 m-85 -112.89 156.2 23.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -144.97 151.27 23.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -53.52 -24.01 12.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.8 OUTLIER -116.66 164.35 18.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 110.873 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.5 Cg_endo -69.79 -4.5 14.18 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.289 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -149.23 146.36 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.725 HD12 HG21 ' A' ' 41' ' ' ILE . 17.3 mt -112.83 149.3 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.2 t -76.07 163.25 27.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.6 m -62.71 -15.89 54.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.53 -32.77 28.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.553 HG22 HD13 ' A' ' 145' ' ' LEU . 87.8 mt -91.0 -48.24 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -53.3 -31.28 43.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.56 -32.06 69.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -58.55 -35.34 72.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.667 ' HB2' HD22 ' A' ' 138' ' ' LEU . 14.8 t80 -70.35 -28.33 65.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.75 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -77.21 -18.01 58.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -80.21 -25.98 39.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 53.1 tp -91.12 -37.76 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 11.9 p -51.76 -35.27 43.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -72.04 -33.89 68.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.05 -14.76 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -102.01 7.83 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.19 -10.21 69.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 60.3 mt -82.12 99.35 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.183 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.71 148.76 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.75 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 8.5 tpt180 -59.61 -21.58 60.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.684 ' HB2' HD12 ' A' ' 163' ' ' LEU . 1.9 mm-40 -75.9 -21.5 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.411 ' O ' HD12 ' A' ' 168' ' ' ILE . 55.9 m-20 -78.11 -4.47 47.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.5 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.5 mp -75.66 117.14 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.808 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -107.09 126.02 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.546 ' HA ' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -77.39 129.64 36.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.658 ' O ' HG22 ' A' ' 114' ' ' THR . . . -166.09 -179.53 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -130.95 160.02 35.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -68.39 -12.01 60.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p -55.78 -22.79 26.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.179 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.42 40.0 1.42 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.55 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 5.4 ttm180 -124.47 99.8 6.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.3 38.96 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CD2' HG21 ' A' ' 114' ' ' THR . 24.2 t80 -95.58 132.31 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -122.75 96.56 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.949 HG23 HD11 ' A' ' 34' ' ' ILE . 7.4 p -76.43 -16.1 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -66.23 -18.18 65.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -85.23 -57.37 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.949 HD11 HG23 ' A' ' 31' ' ' VAL . 30.0 pt -53.52 -26.28 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -55.34 148.57 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.76 -171.27 14.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.56 120.07 11.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.822 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.7 m95 -101.42 -177.06 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -162.19 142.72 10.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 99.11 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.774 HG21 HD12 ' A' ' 145' ' ' LEU . 11.5 mm -66.87 -68.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.613 HG12 HG22 ' A' ' 41' ' ' ILE . 27.2 mm -141.06 148.07 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.658 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.3 tp -119.11 127.82 53.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.696 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -136.05 129.61 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.425 ' HB2' ' HA ' ' A' ' 135' ' ' LEU . 33.1 t -171.41 149.6 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 21.4 t0 -69.65 81.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.525 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 169.19 65.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.591 ' HD2' HD11 ' A' ' 168' ' ' ILE . 7.4 mmm180 -43.01 -48.1 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -51.89 -38.99 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -47.59 70.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.625 ' CG2' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -108.83 51.64 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.075 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -176.54 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -52.21 -30.32 26.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -131.39 65.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.96 -165.09 19.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -119.1 -30.62 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -86.92 -14.18 42.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HG2' HD11 ' A' ' 170' ' ' LEU . 0.1 OUTLIER -77.71 59.52 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -118.53 153.59 33.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -73.5 147.22 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 139' ' ' TYR . 29.6 tp -94.16 150.41 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.54 -171.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -78.71 126.48 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.822 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.7 mt -79.75 139.07 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -104.2 99.39 9.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.562 HG22 HG22 ' A' ' 31' ' ' VAL . 86.4 t -63.29 121.31 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.504 HD11 HG23 ' A' ' 72' ' ' VAL . 11.0 mt -109.78 -168.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -52.88 -53.08 54.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -134.75 -20.12 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 m -108.23 -179.11 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -153.87 127.23 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.504 HG23 HD11 ' A' ' 67' ' ' LEU . 48.0 t -82.74 148.08 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.041 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.747 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -144.11 137.23 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -117.75 151.87 36.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.747 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 71.6 m-85 -129.52 170.22 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -118.17 128.35 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.568 ' CG2' HD23 ' A' ' 59' ' ' LEU . 36.6 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.875 0.369 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.531 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -105.52 177.53 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.5 p -130.12 135.87 48.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.442 ' CE ' HD12 ' A' ' 86' ' ' LEU . 15.2 mmt -138.16 157.26 46.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.4 p -149.94 113.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.699 ' HB1' ' CB ' ' A' ' 99' ' ' TYR . . . -88.4 100.87 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -93.86 141.77 28.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.8 163.53 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.537 HG21 ' HB3' ' A' ' 100' ' ' SER . 39.7 p -148.54 179.87 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.06 -18.21 59.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -61.0 -171.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.06 99.73 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.3 25.77 67.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -118.08 117.15 28.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.699 ' CB ' ' HB1' ' A' ' 90' ' ' ALA . 94.5 m-85 -79.78 170.34 16.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.537 ' HB3' HG21 ' A' ' 93' ' ' THR . 16.2 p -126.1 94.61 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.92 148.68 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.4 m -99.99 93.19 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.93 173.05 6.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -48.39 -29.37 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.64 -91.54 1.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -160.22 133.27 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.39 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.718 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.94 166.9 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.0 128.52 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.739 ' HB2' HD12 ' A' ' 124' ' ' LEU . 5.2 t80 -98.37 141.75 30.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.7 p -146.12 177.84 8.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 112' ' ' PRO . 73.1 mt -141.04 91.04 9.08 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.8 Cg_endo -69.79 -48.45 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -117.64 108.48 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.672 ' HA ' HD12 ' A' ' 120' ' ' LEU . 2.2 t -104.35 89.62 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.85 50.82 0.99 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -44.45 -34.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.45 -42.29 54.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -120.46 -70.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.604 ' CD2' HG23 ' A' ' 149' ' ' ILE . 29.4 p90 -139.23 132.44 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.3 tp -92.97 147.45 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 47.5 mmm -125.48 137.35 53.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -135.96 141.07 44.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.51 ' CE1' HD11 ' A' ' 125' ' ' ILE . 7.7 t-160 -125.2 103.9 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.739 HD12 ' HB2' ' A' ' 109' ' ' PHE . 2.8 tt -114.17 130.53 56.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.51 HD11 ' CE1' ' A' ' 123' ' ' HIS . 54.3 mt -112.64 140.31 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -129.69 126.0 37.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.94 108.0 15.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -157.5 157.47 33.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.9 t70 65.43 27.75 11.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.09 10.4 73.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -139.43 148.66 43.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -138.84 159.98 40.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.7 159.44 38.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.406 ' HA ' HG12 ' A' ' 125' ' ' ILE . 4.0 pt20 -104.34 106.72 17.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.674 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -90.15 139.86 30.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.674 ' N ' HD13 ' A' ' 135' ' ' LEU . 17.4 mtt -135.6 108.84 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.658 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -99.88 117.56 5.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.3 tt -79.56 125.14 29.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.596 ' N ' HD23 ' A' ' 138' ' ' LEU . 15.1 m-85 -119.01 149.86 40.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -147.81 153.89 25.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -50.74 -30.25 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.7 OUTLIER -111.14 161.37 25.39 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.9 Cg_endo -69.75 -6.08 17.74 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.35 139.12 26.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.774 HD12 HG21 ' A' ' 41' ' ' ILE . 17.8 mt -109.17 147.0 33.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.4 t -69.78 179.97 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.9 m -81.47 -6.64 59.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.26 -31.49 16.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 119' ' ' PHE . 92.6 mt -90.42 -44.37 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -53.79 -30.91 46.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.07 -30.37 63.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -61.55 -36.19 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.696 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 5.9 t80 -71.74 -41.77 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.02 -25.51 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -65.58 -51.86 56.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.25 -28.82 70.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 73.2 m -57.95 -70.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.81 -28.59 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -75.66 -21.82 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -102.38 7.89 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 97.52 -11.64 64.93 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 22.9 mt -84.28 97.86 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.917 0.389 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.67 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.81 148.76 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.668 ' HA ' HD13 ' A' ' 167' ' ' ILE . 13.5 tpt180 -58.84 -25.12 62.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.67 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.9 mt-10 -74.46 -20.35 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.438 ' O ' HD12 ' A' ' 168' ' ' ILE . 17.2 m-20 -83.18 2.09 37.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.668 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -79.12 109.6 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.591 HD11 ' HD2' ' A' ' 48' ' ' ARG . 2.1 mp -99.98 129.59 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.413 ' HA ' HD12 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -85.08 136.51 33.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.473 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.6 mm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.851 0.358 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.695 ' O ' HG22 ' A' ' 114' ' ' THR . . . -153.79 -178.87 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -128.86 156.01 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 p -68.79 -10.63 57.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p -51.44 -26.46 8.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.197 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.63 40.02 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.575 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -131.33 100.67 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 t30 63.4 41.41 7.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CD2' HG21 ' A' ' 114' ' ' THR . 25.2 t80 -99.91 143.0 30.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -130.12 95.54 3.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.708 HG23 HD11 ' A' ' 34' ' ' ILE . 9.2 p -78.93 -9.31 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.38 -11.11 59.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -89.34 -52.78 4.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.708 HD11 HG23 ' A' ' 31' ' ' VAL . 21.2 pt -55.91 -23.48 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -61.13 129.18 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.01 179.21 15.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.591 ' N ' HE21 ' A' ' 63' ' ' GLN . 62.3 mt-10 -51.73 119.84 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.833 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.6 m95 -106.18 -178.89 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -163.03 144.17 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -95.04 99.93 11.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.707 HG21 HD12 ' A' ' 145' ' ' LEU . 6.3 mm -68.54 -68.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.699 HG23 ' HA ' ' A' ' 169' ' ' ASP . 21.7 mm -140.36 153.5 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.585 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.0 tp -119.99 133.15 55.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.481 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -137.95 131.75 31.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.496 ' OG ' HD12 ' A' ' 51' ' ' ILE . 63.6 p -170.32 147.96 3.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 17.2 t0 -68.11 80.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.589 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.19 74.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.641 ' HD2' HD11 ' A' ' 168' ' ' ILE . 8.5 mmm-85 -55.1 -28.45 52.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -75.24 -6.28 48.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -100.51 -46.81 5.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -100.58 44.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.38 -169.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.45 -56.48 6.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -100.78 58.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.93 176.3 37.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -118.25 -18.76 9.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -98.3 -19.71 17.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.41 ' HA ' HD22 ' A' ' 43' ' ' LEU . 31.8 ttp85 -76.15 67.43 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.806 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.607 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -120.34 154.05 35.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.97 155.84 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.565 HD23 ' HB3' ' A' ' 38' ' ' TRP . 44.3 tp -102.88 152.1 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.7 -172.56 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.591 HE21 ' N ' ' A' ' 37' ' ' GLU . 8.7 tt0 -82.08 108.35 15.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.833 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.5 mt -61.63 139.2 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.38 100.47 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.63 108.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.619 HD11 HG23 ' A' ' 72' ' ' VAL . 38.6 mt -94.68 -168.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -56.28 13.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -137.73 7.83 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.54 ' HB2' HD12 ' A' ' 67' ' ' LEU . 2.3 m -126.99 -178.94 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -149.04 118.77 7.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.619 HG23 HD11 ' A' ' 67' ' ' LEU . 58.1 t -86.0 119.49 34.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.767 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -119.66 135.39 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.83 153.04 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.767 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 86.9 m-85 -132.21 169.16 16.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -124.17 128.36 49.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.607 ' CG2' HD23 ' A' ' 59' ' ' LEU . 19.8 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.555 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -99.92 178.94 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 p -139.49 123.39 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.555 ' CE ' HD12 ' A' ' 86' ' ' LEU . 16.5 mmt -128.83 158.99 37.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 72' ' ' VAL . 83.4 t -147.37 115.81 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.74 117.07 25.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -105.66 162.01 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -71.65 164.56 25.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.586 HG21 ' HB3' ' A' ' 100' ' ' SER . 48.6 p -150.81 -179.62 7.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -82.47 0.67 41.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -174.17 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.78 99.1 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.38 14.36 53.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.533 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.696 ' HA ' HG22 ' A' ' 110' ' ' THR . 7.5 tt0 -109.75 107.51 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.515 ' CE2' HD21 ' A' ' 71' ' ' LEU . 6.2 m-85 -80.02 160.82 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.586 ' HB3' HG21 ' A' ' 93' ' ' THR . 89.5 p -120.43 116.32 25.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.804 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.94 135.4 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.5 m -73.0 92.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.08 172.67 6.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -49.35 -26.87 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.96 163.09 28.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.552 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -49.84 119.19 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.674 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -156.86 165.5 36.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.39 126.74 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.835 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.6 t80 -98.71 129.42 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.696 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.2 p -135.71 175.82 9.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 121' ' ' MET . 58.6 mt -140.88 92.71 8.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.702 . . . . 0.0 111.147 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.7 Cg_endo -69.72 -48.86 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.04 108.8 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.2 t -107.07 88.63 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.74 49.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -43.94 -31.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -44.59 -49.54 10.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -123.14 -64.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.527 ' CD2' HG23 ' A' ' 149' ' ' ILE . 28.4 p90 -132.21 130.34 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 114' ' ' THR . 17.5 tp -93.27 147.98 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.592 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.5 mtm -126.2 137.98 53.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.418 ' HB1' ' HE1' ' A' ' 109' ' ' PHE . . . -134.9 160.12 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.606 ' CE1' HD11 ' A' ' 125' ' ' ILE . 13.4 t-160 -142.65 109.3 5.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.835 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.1 tt -120.8 132.82 55.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.606 HD11 ' CE1' ' A' ' 123' ' ' HIS . 25.4 mt -118.76 131.98 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -122.96 128.68 50.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -115.45 99.19 7.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -138.47 154.92 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 63.36 23.25 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.69 1.35 83.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -125.02 149.51 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.61 159.79 41.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.174 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -153.33 157.44 40.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -95.49 109.65 21.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -95.78 140.28 30.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' MET . . . . . 0.675 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -143.08 112.23 6.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.585 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -104.03 112.35 4.12 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.406 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 139' ' ' TYR . 9.0 tp -79.76 132.79 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.559 ' N ' HD12 ' A' ' 138' ' ' LEU . 17.1 m-85 -127.19 157.22 40.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -148.99 152.97 24.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.462 ' HG2' ' HG2' ' A' ' 142' ' ' GLU . 0.1 OUTLIER -55.97 -23.77 34.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.462 ' HG2' ' HG2' ' A' ' 141' ' ' ARG . 0.8 OUTLIER -106.93 162.63 19.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.3 Cg_endo -69.81 -4.78 14.75 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -159.03 147.84 18.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.707 HD12 HG21 ' A' ' 41' ' ' ILE . 46.7 mt -108.98 157.82 18.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.0 t -85.86 -179.6 6.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.3 t -77.03 -4.7 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.7 -36.8 14.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 119' ' ' PHE . 91.7 mt -91.09 -43.32 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -27.75 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.95 -30.86 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -60.24 -31.09 69.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.542 ' HB2' HD22 ' A' ' 138' ' ' LEU . 18.5 t80 -68.9 -37.35 78.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . 0.53 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -65.91 -36.46 83.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -50.59 -31.07 14.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.463 HD22 ' SD ' ' A' ' 121' ' ' MET . 4.5 tp -91.98 -26.48 18.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.6 -37.92 89.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.61 -25.65 57.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -79.15 -33.15 44.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -84.17 0.31 49.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 98.92 -20.36 50.64 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 47.9 mt -67.13 96.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.088 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -47.22 147.7 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.53 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 1.1 mmm180 -61.25 -18.94 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.642 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.7 mm-40 -79.42 -13.43 59.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ASN . . . . . 0.443 ' O ' HD12 ' A' ' 168' ' ' ILE . 8.3 m-20 -85.9 -9.29 57.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' ILE . . . . . 0.481 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.4 mp -74.01 113.74 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' ILE . . . . . 0.641 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.5 mp -105.87 111.87 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.699 ' HA ' HG23 ' A' ' 42' ' ' ILE . 15.0 m-20 -84.76 116.66 23.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.3 ptp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.47 126.1 1.1 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t -140.04 -179.99 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.1 t -160.21 160.64 32.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -139.19 -175.6 4.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -133.78 174.68 10.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -103.15 -173.31 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -137.47 -179.69 5.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -124.95 175.86 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -129.36 174.47 9.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.9 mm -118.82 146.51 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -104.39 -25.14 12.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.03 175.02 14.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.524 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.86 115.12 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -137.59 147.65 45.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.64 179.72 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.587 ' O ' HG22 ' A' ' 114' ' ' THR . . . -164.2 -179.48 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.126 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -136.49 166.61 23.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -72.78 -8.06 53.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.8 p -54.25 -25.11 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.31 39.88 1.45 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -128.16 99.9 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.6 t30 55.92 48.51 17.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CD2' HG21 ' A' ' 114' ' ' THR . 39.2 t80 -99.15 135.07 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -123.83 110.57 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.824 HG23 HD11 ' A' ' 34' ' ' ILE . 7.1 p -90.17 -13.71 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -70.62 -14.16 62.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -87.52 -55.45 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.824 HD11 HG23 ' A' ' 31' ' ' VAL . 24.1 pt -54.58 -25.14 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -58.5 127.3 31.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.31 -175.64 19.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' N ' HE21 ' A' ' 63' ' ' GLN . 5.5 mm-40 -56.65 119.99 7.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.796 0.332 . . . . 0.0 110.926 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.768 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.7 m95 -108.24 176.75 5.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -163.05 146.96 11.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.44 102.54 14.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.629 HG21 HD12 ' A' ' 145' ' ' LEU . 6.8 mm -70.39 -67.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.604 HD13 ' O ' ' A' ' 41' ' ' ILE . 27.4 mm -136.86 144.34 32.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -113.41 119.15 36.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.567 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -125.83 130.0 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.601 ' HB2' HD22 ' A' ' 135' ' ' LEU . 36.5 t -168.65 146.84 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 9.1 p30 -68.69 81.41 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.519 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.52 71.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.825 ' HD2' HD11 ' A' ' 168' ' ' ILE . 4.1 mmm180 -54.67 -30.3 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -73.71 -6.43 46.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.67 -49.85 4.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.808 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -94.87 40.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -173.93 2.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -51.01 118.66 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 60.06 41.93 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.3 -144.96 0.26 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -124.55 -36.7 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -94.66 -7.7 40.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -74.78 72.65 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.629 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -127.83 155.75 43.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.45 156.78 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 38' ' ' TRP . 44.2 tp -102.8 150.67 23.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.97 -172.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.428 HE21 ' N ' ' A' ' 37' ' ' GLU . 5.9 tt0 -80.85 108.0 14.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.768 HD12 ' CD1' ' A' ' 38' ' ' TRP . 3.8 mt -62.44 139.89 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -106.33 99.42 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.505 HG22 HG22 ' A' ' 31' ' ' VAL . 84.8 t -64.22 127.15 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 72' ' ' VAL . 13.9 mt -115.15 -167.37 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.17 -53.59 51.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.81 -20.51 2.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.422 ' HB2' HD12 ' A' ' 67' ' ' LEU . 9.3 m -108.15 -179.29 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.84 124.18 6.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.443 HG23 HD11 ' A' ' 67' ' ' LEU . 51.2 t -79.76 146.52 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.522 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -149.35 135.54 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -117.57 152.69 34.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.554 ' HB3' HD22 ' A' ' 59' ' ' LEU . 93.6 m-85 -129.96 171.09 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -116.58 112.32 21.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.629 ' CG2' HD23 ' A' ' 59' ' ' LEU . 69.7 p -131.56 139.29 49.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 m -91.25 160.59 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -150.34 122.68 8.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 59.61 46.31 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 59.57 36.46 22.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.979 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -142.4 125.18 15.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 63.9 m -54.33 147.84 12.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.86 -179.92 4.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.06 147.46 22.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -111.29 174.83 5.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.8 p -124.42 132.2 53.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -132.94 168.78 17.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.6 t -150.29 100.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.19 117.59 20.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -114.14 178.7 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -90.28 169.7 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 100' ' ' SER . 47.9 p -151.45 179.93 7.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.174 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.66 -19.77 65.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -58.54 -177.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.14 104.05 12.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.22 30.65 78.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 110' ' ' THR . 7.7 tt0 -126.86 109.83 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 110.958 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -80.63 159.48 25.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.531 ' HB3' HG21 ' A' ' 93' ' ' THR . 76.6 p -119.36 115.53 24.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.51 135.76 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.6 m -72.97 92.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.84 172.7 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -48.62 -28.15 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.77 164.27 27.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -49.74 118.85 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.669 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -155.54 169.45 24.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.55 125.41 16.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.847 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.3 t80 -99.11 128.14 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 98' ' ' GLU . 5.3 p -135.23 -179.92 5.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 121' ' ' MET . 21.8 mt -139.21 95.5 9.29 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.069 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -48.87 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.748 2.299 . . . . 0.0 112.353 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.402 ' HE3' HD12 ' A' ' 156' ' ' LEU . 0.1 OUTLIER -118.25 108.38 15.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.638 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -107.02 89.62 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.2 52.85 0.78 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.65 -32.92 1.63 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -50.28 -43.77 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -120.59 -70.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.603 ' CD2' HG23 ' A' ' 149' ' ' ILE . 24.6 p90 -136.69 133.5 36.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 114' ' ' THR . 23.4 tp -91.65 150.71 21.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.564 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.4 mtm -132.09 136.12 46.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -131.37 152.31 50.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.582 ' CE1' HD11 ' A' ' 125' ' ' ILE . 12.6 t-160 -134.14 111.97 10.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.847 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.0 tt -122.18 138.54 54.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.582 HD11 ' CE1' ' A' ' 123' ' ' HIS . 20.5 mt -126.88 130.88 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -121.69 127.06 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -114.55 100.09 8.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.45 153.64 48.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 61.26 33.37 19.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.99 11.51 58.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -133.85 146.44 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -138.42 160.09 40.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.28 151.18 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -91.32 107.67 19.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.696 HD13 ' N ' ' A' ' 136' ' ' MET . 3.1 tm? -97.82 139.84 33.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.696 ' N ' HD13 ' A' ' 135' ' ' LEU . 20.0 mtp -144.06 115.34 7.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -105.56 111.94 3.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 139' ' ' TYR . 6.6 tp -79.67 128.32 33.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.495 ' N ' HD12 ' A' ' 138' ' ' LEU . 19.3 m-85 -120.94 159.04 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.59 152.82 24.44 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -50.77 -30.04 13.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.6 OUTLIER -109.33 161.74 22.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.642 0.734 . . . . 0.0 110.848 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.8 Cg_endo -69.74 -6.84 19.54 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -147.46 141.2 25.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.629 HD12 HG21 ' A' ' 41' ' ' ILE . 25.6 mt -108.81 144.99 35.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.8 t -68.67 -179.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.5 m -80.36 -6.97 58.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.15 -31.21 17.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.603 HG23 ' CD2' ' A' ' 119' ' ' PHE . 91.9 mt -90.88 -45.04 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -56.0 -27.96 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -74.97 -30.27 61.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -57.56 -45.7 84.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 44' ' ' ALA . 9.3 t80 -63.43 -38.85 92.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.591 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -60.78 -18.27 54.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -80.79 -26.56 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.631 ' O ' HD23 ' A' ' 156' ' ' LEU . 3.6 tt -90.72 -35.88 14.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 11.1 p -54.25 -34.39 60.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -73.04 -25.65 61.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -76.83 -31.01 56.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -87.27 5.54 37.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.28 -10.64 73.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 29.5 mt -77.96 99.49 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.782 0.325 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.16 148.65 2.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.591 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 0.1 OUTLIER -60.43 -21.54 62.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.683 ' HB2' HD12 ' A' ' 163' ' ' LEU . 5.1 mm-40 -75.93 -25.16 55.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.553 ' O ' HD12 ' A' ' 168' ' ' ILE . 35.0 m-20 -72.55 -9.41 58.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.567 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.6 mp -72.32 118.4 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.825 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -106.1 126.52 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.481 ' HA ' HD12 ' A' ' 42' ' ' ILE . 1.7 p30 -78.86 132.37 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.65 -31.42 9.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 18.7 p -57.23 -23.73 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.81 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -99.27 -24.97 14.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -104.17 113.23 26.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.013 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -149.46 120.27 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -172.72 161.26 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 7.7 t -127.5 32.1 5.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 78.1 mt -150.78 160.95 43.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -111.46 46.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -86.12 137.11 32.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.68 173.58 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.1 ttm . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.802 0.335 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.71 148.34 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.54 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 p -121.44 178.56 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.802 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.2 m 59.35 42.78 17.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -108.95 179.84 4.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.5 t60 62.59 50.5 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -58.81 175.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.801 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -131.17 -175.25 3.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -124.87 157.77 35.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -158.19 145.03 17.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -132.29 150.41 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -132.76 -176.11 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.34 150.34 46.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -147.54 178.14 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.39 169.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.31 -179.96 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.573 ' O ' HG22 ' A' ' 114' ' ' THR . . . -161.66 -179.34 7.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 p -133.31 156.36 47.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 p -69.71 -10.74 59.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.4 p -53.92 -24.28 15.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.097 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.59 40.09 1.38 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -129.12 99.93 5.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 t30 59.68 43.79 15.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CD2' HG21 ' A' ' 114' ' ' THR . 30.1 t80 -97.86 142.36 29.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -130.05 95.99 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.844 HG23 HD11 ' A' ' 34' ' ' ILE . 7.3 p -77.78 -12.17 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -71.23 -22.3 62.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -79.24 -53.6 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.844 HD11 HG23 ' A' ' 31' ' ' VAL . 22.5 pt -58.86 -20.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -63.14 125.85 25.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.83 -177.3 18.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.596 ' N ' HE21 ' A' ' 63' ' ' GLN . 56.4 mt-10 -56.02 119.74 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.857 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.814 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.1 m95 -105.58 -178.66 3.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -162.5 148.2 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.0 m -93.53 99.51 11.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.852 HG21 HD12 ' A' ' 145' ' ' LEU . 10.6 mm -68.88 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.667 HG12 HG22 ' A' ' 41' ' ' ILE . 22.0 mm -139.17 150.49 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.674 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.7 tp -122.03 111.85 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.617 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -119.27 130.44 55.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.052 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.509 ' OG ' HD12 ' A' ' 51' ' ' ILE . 37.1 p -168.88 149.68 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.1 p30 -68.88 80.91 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.596 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.48 73.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.749 ' HD2' HD11 ' A' ' 168' ' ' ILE . 0.9 OUTLIER -55.29 -28.3 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.889 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.07 -5.59 47.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.89 -47.33 4.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.611 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -100.53 44.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -170.4 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -48.87 -58.72 4.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -96.06 40.28 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.1 176.36 37.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -117.95 -16.34 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -101.51 -13.44 17.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.463 ' HE ' HD13 ' A' ' 170' ' ' LEU . 0.0 OUTLIER -74.2 72.34 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.681 HD22 ' CB ' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -117.75 157.27 26.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -86.22 126.94 34.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.468 HD12 ' H ' ' A' ' 62' ' ' GLU . 44.7 tp -73.4 152.27 40.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -109.45 -171.54 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.596 HE21 ' N ' ' A' ' 37' ' ' GLU . 9.1 tt0 -81.4 107.8 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.814 HD12 ' CD1' ' A' ' 38' ' ' TRP . 6.4 mt -62.84 138.22 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -108.59 101.76 10.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.432 HG22 HG22 ' A' ' 31' ' ' VAL . 98.7 t -63.99 109.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.639 HD11 HG23 ' A' ' 72' ' ' VAL . 36.3 mt -99.23 -167.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -58.58 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.66 10.94 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -131.05 -179.8 5.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.507 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -147.96 127.01 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.639 HG23 HD11 ' A' ' 67' ' ' LEU . 97.5 t -90.93 113.64 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.575 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.3 pt? -122.75 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -111.9 152.18 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.681 ' CB ' HD22 ' A' ' 59' ' ' LEU . 18.6 m-85 -121.79 167.8 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -120.25 106.61 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.803 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.653 ' CG2' HD23 ' A' ' 59' ' ' LEU . 61.2 p -122.79 147.05 46.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -104.4 161.15 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -148.94 121.41 8.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 59.06 45.78 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 59.86 36.16 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -130.42 140.13 50.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 32.9 m -73.35 132.51 43.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 t -157.07 175.71 13.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -160.27 144.91 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.604 HD12 ' SD ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -109.76 179.97 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -132.01 122.98 26.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.803 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.604 ' SD ' HD12 ' A' ' 86' ' ' LEU . 2.6 mmt -123.65 164.21 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 66.1 t -149.27 109.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.44 109.66 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.44 147.54 26.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -52.6 170.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.5 p -143.8 -179.6 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.46 -21.52 65.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -85.08 172.03 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.16 98.95 8.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.66 -24.63 13.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.542 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.69 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.5 tt0 -91.84 107.99 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.507 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.2 m-85 -89.09 159.0 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.3 p -121.3 118.36 29.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.0 p -108.94 129.94 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.5 m -64.99 91.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -107.31 172.18 6.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -50.77 -26.31 5.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.53 162.28 27.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -50.18 119.36 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.604 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -154.65 168.29 27.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.79 123.47 15.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.842 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.2 t80 -99.84 129.98 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.69 HG22 ' HA ' ' A' ' 98' ' ' GLU . 8.9 p -135.2 174.88 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.19 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 121' ' ' MET . 30.2 mt -136.81 90.29 16.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 111.162 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.1 Cg_endo -69.76 -49.08 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.743 2.295 . . . . 0.0 112.279 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.71 108.51 17.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.674 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.7 t -110.66 89.75 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.172 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.76 52.46 0.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -44.13 -33.11 1.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -49.44 -44.36 45.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -120.99 -69.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.576 ' CD2' HG23 ' A' ' 149' ' ' ILE . 23.6 p90 -136.39 132.73 35.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 114' ' ' THR . 16.1 tp -92.03 147.37 23.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.8 mtm -127.62 140.78 51.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.88 152.12 51.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -132.79 114.7 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.842 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.1 tt -124.91 151.98 44.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.9 mt -141.16 125.51 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -117.81 125.76 51.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -112.06 100.47 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -138.67 157.04 46.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 60.18 28.68 18.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.67 6.69 67.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -130.06 153.11 48.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.966 0.412 . . . . 0.0 110.826 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -142.91 158.12 43.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.196 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.4 ' HE2' HD23 ' A' ' 135' ' ' LEU . 3.1 p90 -150.2 152.44 34.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -91.38 109.1 20.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -97.15 139.91 32.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.665 ' N ' HD13 ' A' ' 135' ' ' LEU . 27.6 mtp -143.03 115.46 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.674 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -105.09 116.02 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.57 127.6 32.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.623 ' N ' HD23 ' A' ' 138' ' ' LEU . 16.9 m-85 -121.46 148.1 44.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.15 151.96 24.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -50.84 -31.17 16.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.2 mt-10 -108.06 161.44 23.33 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.713 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.4 Cg_endo -69.77 -6.45 18.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -147.25 139.43 24.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.852 HD12 HG21 ' A' ' 41' ' ' ILE . 18.1 mt -108.98 147.39 32.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.1 t -70.52 177.62 3.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.0 m -79.49 -5.11 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -90.6 -31.72 16.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 119' ' ' PHE . 84.7 mt -90.66 -44.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -53.92 -30.32 45.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.43 -30.32 63.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -62.37 -37.71 86.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.617 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 9.5 t80 -71.05 -37.48 72.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.44 -21.86 62.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -66.93 -52.93 37.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.542 HD23 ' CE ' ' A' ' 136' ' ' MET . 9.8 tp -63.92 -26.02 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.85 -70.22 0.19 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.54 -27.39 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.11 -28.99 63.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -93.42 -4.26 51.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 107.66 3.55 34.7 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 45' ' ' SER . 45.6 mt -98.18 96.39 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.38 159.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.768 ' HA ' HD13 ' A' ' 167' ' ' ILE . 3.5 tpp85 -66.79 -29.76 69.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.635 ' HB2' HD12 ' A' ' 163' ' ' LEU . 19.0 mt-10 -66.82 -13.68 61.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.488 ' O ' HD12 ' A' ' 168' ' ' ILE . 52.1 m-20 -89.37 -8.43 53.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.768 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -74.15 109.38 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.191 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.749 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.6 mp -100.13 109.41 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 42' ' ' ILE . 2.2 p30 -87.5 125.64 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.463 HD13 ' HE ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -132.54 23.3 4.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 5.3 m -55.68 -28.79 57.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -99.57 26.05 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -142.26 110.15 5.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -140.52 31.43 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 23.7 mtp85 -112.73 171.78 7.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 46.6 m -73.01 -49.9 26.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 36.7 mt -107.61 -173.16 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -119.15 142.76 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -74.22 169.18 18.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -122.89 150.94 42.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.14 115.02 0.63 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -94.4 169.66 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.816 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.6 m -93.62 156.37 16.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -155.84 176.11 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -109.24 108.62 19.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -147.63 -176.03 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -56.32 177.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -153.52 116.84 4.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -173.15 165.46 4.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.505 ' H ' HD12 ' A' ' 16' ' ' ILE . 3.9 mp -88.06 144.24 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -123.45 -36.02 2.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.7 -132.72 1.42 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.476 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -97.22 130.93 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -139.45 170.1 16.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -70.13 179.42 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.579 ' O ' HG22 ' A' ' 114' ' ' THR . . . -170.29 -179.34 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -137.5 164.19 29.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.0 p -69.85 -9.97 56.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.1 p -53.08 -25.99 14.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 40.26 1.37 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -133.72 102.1 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.12 39.22 10.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.621 ' CD2' HG21 ' A' ' 114' ' ' THR . 31.2 t80 -98.56 131.97 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -125.48 96.4 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.922 HG23 HD11 ' A' ' 34' ' ' ILE . 8.8 p -75.23 -15.68 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.4 -18.58 65.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -83.9 -53.75 5.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.922 HD11 HG23 ' A' ' 31' ' ' VAL . 34.2 pt -58.14 -21.19 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -60.79 125.54 24.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.18 177.7 15.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.517 ' N ' HE21 ' A' ' 63' ' ' GLN . 24.0 mt-10 -51.18 119.64 4.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.844 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.6 m95 -105.15 178.89 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -162.64 144.5 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.823 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.76 99.84 12.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.614 HG21 HD12 ' A' ' 145' ' ' LEU . 7.6 mm -67.49 -66.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.63 HG23 ' HA ' ' A' ' 169' ' ' ASP . 23.8 mm -140.14 144.14 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.697 HD12 ' HA2' ' A' ' 137' ' ' GLY . 5.1 tp -114.66 137.75 51.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -141.95 129.88 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.515 ' OG ' HD12 ' A' ' 51' ' ' ILE . 94.5 p -164.26 147.72 9.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.81 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 44.7 t0 -68.66 79.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.594 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.5 77.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.724 ' HD2' HD11 ' A' ' 168' ' ' ILE . 15.2 mmm-85 -55.25 -27.72 48.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -75.89 -5.67 47.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 -44.4 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.706 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -104.31 46.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.1 -171.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -49.13 -52.18 27.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -105.74 56.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.26 178.93 38.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -116.83 -20.56 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.616 ' CD2' HD13 ' A' ' 135' ' ' LEU . 3.4 m-85 -91.02 -12.33 36.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.73 ' HG2' HD11 ' A' ' 170' ' ' LEU . 7.7 tmm_? -72.82 77.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.59 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -124.87 154.62 40.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.17 131.15 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 62' ' ' GLU . 41.9 tp -72.06 152.06 42.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' H ' HD12 ' A' ' 61' ' ' LEU . 44.0 mm-40 -109.03 -173.29 2.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.517 HE21 ' N ' ' A' ' 37' ' ' GLU . 9.8 tt0 -80.54 107.86 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.844 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.4 mt -62.99 138.23 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -108.28 101.2 10.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.553 HG22 HG22 ' A' ' 31' ' ' VAL . 81.8 t -62.51 116.24 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.534 HD11 HG23 ' A' ' 72' ' ' VAL . 54.7 mt -107.47 -167.78 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.57 -55.35 11.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -144.23 13.31 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 m -132.52 179.6 6.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' HB2' HG23 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -148.99 122.51 9.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.534 HG23 HD11 ' A' ' 67' ' ' LEU . 59.6 t -86.6 112.69 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.3 pt? -121.5 131.7 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -111.92 151.23 29.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.55 ' CB ' HD22 ' A' ' 59' ' ' LEU . 18.0 m-85 -120.17 161.96 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -112.1 104.21 12.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.59 ' CG2' HD23 ' A' ' 59' ' ' LEU . 59.5 p -118.96 153.69 34.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.52 122.94 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -111.36 121.17 44.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 63.86 44.42 4.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 59.41 24.32 12.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.41 140.36 48.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.3 m -50.06 146.81 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.73 178.72 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -160.5 143.46 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.421 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -107.64 -179.79 4.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.883 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -125.65 113.1 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.0 mmt -115.44 146.39 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 89' ' ' VAL . 4.1 p -137.36 116.83 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.57 112.72 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.042 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -112.09 152.72 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -56.68 163.85 1.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.579 HG21 ' HB3' ' A' ' 100' ' ' SER . 67.3 p -149.47 177.82 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -60.26 -24.09 64.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -65.71 172.71 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.08 110.15 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.64 20.2 78.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.642 ' HA ' HG22 ' A' ' 110' ' ' THR . 4.7 tt0 -126.89 105.11 8.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -79.71 169.76 17.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.579 ' HB3' HG21 ' A' ' 93' ' ' THR . 94.9 p -131.21 130.96 43.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.03 170.29 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.0 m -103.42 91.55 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.5 171.7 7.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.04 -26.22 5.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.26 169.8 26.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -50.68 121.73 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.55 170.43 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.45 138.98 21.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.878 ' HB2' HD12 ' A' ' 124' ' ' LEU . 3.7 t80 -107.26 138.03 44.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 98' ' ' GLU . 13.0 p -143.82 173.06 12.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.476 HD11 ' HZ ' ' A' ' 109' ' ' PHE . 52.8 mt -137.81 90.06 14.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.667 0.746 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.83 -48.6 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.435 ' HD2' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -113.31 108.59 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.682 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -109.69 88.67 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.83 52.39 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.65 -33.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -51.72 -41.94 61.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -120.62 -70.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 149' ' ' ILE . 47.3 p90 -138.0 132.9 32.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 114' ' ' THR . 18.0 tp -93.25 148.51 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.643 ' HE2' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -128.5 136.0 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -128.55 144.2 51.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.546 ' CE1' HD11 ' A' ' 125' ' ' ILE . 16.8 t-160 -123.98 111.51 16.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.878 HD12 ' HB2' ' A' ' 109' ' ' PHE . 6.1 tt -128.31 126.99 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.546 HD11 ' CE1' ' A' ' 123' ' ' HIS . 7.8 mt -116.46 139.86 41.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -126.52 121.81 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -109.15 99.88 9.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -144.17 160.39 41.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.8 t0 63.45 34.13 13.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.67 18.58 64.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -148.64 160.26 43.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.1 t -145.81 159.63 42.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.512 ' HE2' HD12 ' A' ' 135' ' ' LEU . 0.7 OUTLIER -148.91 151.96 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.824 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -94.13 121.9 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.616 HD13 ' CD2' ' A' ' 57' ' ' PHE . 4.4 tt -120.6 139.21 53.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 1.6 mtm -136.99 109.35 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.697 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -90.74 113.69 4.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.643 HD13 ' HE2' ' A' ' 121' ' ' MET . 4.4 tp -82.86 130.21 35.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.578 ' N ' HD12 ' A' ' 138' ' ' LEU . 18.3 m-85 -122.95 160.04 27.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -151.78 153.12 24.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.566 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -50.73 -28.7 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.0 OUTLIER -114.12 162.37 23.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.681 0.753 . . . . 0.0 110.908 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.3 Cg_endo -69.65 -5.94 17.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.41 138.78 29.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.614 HD12 HG21 ' A' ' 41' ' ' ILE . 20.8 mt -108.87 145.43 35.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.8 t -66.97 167.9 10.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.447 ' HA ' ' HG2' ' A' ' 150' ' ' LYS . 7.9 t -71.85 -9.7 58.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -25.67 20.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.623 HG23 ' CD2' ' A' ' 119' ' ' PHE . 75.4 mt -90.88 -47.23 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.447 ' HG2' ' HA ' ' A' ' 147' ' ' SER . 2.7 ptpp? -53.64 -29.86 40.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -70.2 -32.04 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -67.42 -19.83 65.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.552 ' HB2' HD22 ' A' ' 138' ' ' LEU . 9.8 t80 -80.2 -43.09 22.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.85 -25.35 56.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -65.33 -54.55 27.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.435 HD22 ' HD2' ' A' ' 113' ' ' LYS . 14.7 tp -63.06 -26.45 68.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 93.6 m -61.81 -66.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -60.33 -35.44 75.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.32 -28.12 66.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -95.23 -3.73 47.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 103.4 19.67 12.08 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.65 103.82 16.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.606 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.08 159.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.768 ' HA ' HD13 ' A' ' 167' ' ' ILE . 3.4 tpp85 -68.84 -30.22 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.606 ' HB2' HD12 ' A' ' 163' ' ' LEU . 3.0 mm-40 -67.22 -15.81 63.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -85.0 -7.22 59.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.768 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.8 mp -78.78 110.1 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.724 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.6 mp -104.86 114.3 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.63 ' HA ' HG23 ' A' ' 42' ' ' ILE . 14.6 m-20 -72.41 130.79 41.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.73 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.4 mm? -100.49 -21.0 15.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 18.3 t -51.86 -32.51 32.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -115.29 26.09 10.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' A' ' 170' ' ' LEU . . . -139.08 120.52 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -174.58 139.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -164.12 152.45 12.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 49.2 t -113.15 -28.65 7.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 4.3 pp -175.46 168.83 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -127.95 137.15 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -67.14 159.91 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.33 157.05 45.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.822 0.344 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.57 -165.75 24.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -136.03 179.39 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -112.37 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -120.04 139.59 52.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -159.14 178.74 9.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.4 m170 62.19 60.16 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -61.25 175.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -94.45 -175.14 3.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -130.69 -172.57 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.1 mm -111.68 147.97 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.6 -174.83 2.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.26 -148.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -102.61 123.23 45.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.767 0.318 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -138.88 170.03 16.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.6 -179.96 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.613 ' O ' HG22 ' A' ' 114' ' ' THR . . . -154.63 -179.32 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.97 156.78 46.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.5 p -67.74 -11.89 59.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -53.08 -24.73 10.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.52 40.09 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 ttm-85 -125.67 100.06 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.2 t30 55.96 47.01 20.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CD2' HG21 ' A' ' 114' ' ' THR . 22.3 t80 -100.02 141.74 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -129.69 103.87 7.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.815 HG23 HD11 ' A' ' 34' ' ' ILE . 9.9 p -84.56 -11.92 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -71.63 -17.53 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -83.78 -55.56 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.815 HD11 HG23 ' A' ' 31' ' ' VAL . 22.8 pt -54.95 -25.59 16.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -54.72 148.12 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.63 -170.0 13.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.588 ' N ' HE21 ' A' ' 63' ' ' GLN . 70.3 mt-10 -65.53 122.81 18.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.793 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.6 m95 -104.3 -176.28 3.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -162.25 141.13 9.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 m -88.78 99.64 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.856 HG21 HD12 ' A' ' 145' ' ' LEU . 15.7 mm -69.43 -69.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.69 HG12 HG22 ' A' ' 41' ' ' ILE . 23.7 mm -139.51 149.85 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.463 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.3 tp -119.05 123.18 43.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.586 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -129.22 129.42 44.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.525 ' OG ' HD12 ' A' ' 51' ' ' ILE . 66.2 p -170.15 148.62 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 16.8 t0 -68.84 80.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.629 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.22 74.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.753 ' HD2' HD11 ' A' ' 168' ' ' ILE . 11.5 mmm-85 -54.71 -28.66 49.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -75.17 -6.04 47.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -100.58 -43.53 6.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -106.49 46.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -173.2 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -50.21 -42.26 51.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -118.85 68.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -106.41 -168.19 22.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.439 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -118.84 -28.8 5.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -90.44 -13.23 35.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 72.1 2.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.643 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -128.86 149.72 50.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.58 148.06 43.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.747 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.3 tp -89.5 153.59 20.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -108.86 -171.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.588 HE21 ' N ' ' A' ' 37' ' ' GLU . 5.4 tt0 -80.52 108.57 14.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.793 HD12 ' CD1' ' A' ' 38' ' ' TRP . 28.5 mt -71.34 140.62 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -107.82 134.73 50.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -90.66 119.33 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.767 HD21 HG23 ' A' ' 72' ' ' VAL . 2.1 mm? -109.3 -171.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -56.25 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -143.67 12.12 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.57 ' C ' HD23 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -125.31 -179.05 4.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.57 HD23 ' C ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -150.62 114.61 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.767 HG23 HD21 ' A' ' 67' ' ' LEU . 41.6 t -81.03 114.42 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.747 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.1 pt? -117.63 135.44 53.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -118.99 152.5 36.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.747 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 68.1 m-85 -130.36 177.54 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -131.31 129.1 41.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.643 ' CG2' HD23 ' A' ' 59' ' ' LEU . 16.9 p -150.36 152.92 35.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -104.61 161.02 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -149.32 125.11 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 58.39 45.52 16.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 58.62 36.21 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -139.69 128.87 23.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 27.9 m -55.14 145.41 21.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.37 -179.81 7.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -160.41 138.32 9.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.583 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.6 OUTLIER -101.26 178.95 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.3 p -140.95 117.15 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.583 ' CE ' HD12 ' A' ' 86' ' ' LEU . 23.5 mmt -121.2 165.01 16.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 89' ' ' VAL . 4.4 p -150.0 117.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.31 113.74 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.8 169.36 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -76.8 163.12 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 p -144.96 -179.96 6.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.34 -7.49 58.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -73.09 179.86 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.31 100.55 9.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 75.44 27.02 64.31 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.687 ' HA ' HG22 ' A' ' 110' ' ' THR . 4.7 tt0 -131.86 109.5 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -87.48 159.17 18.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t -113.58 122.88 48.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.9 p -115.81 130.66 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.5 m -69.69 92.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.41 172.64 6.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -49.52 -27.52 4.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.53 162.46 27.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -49.41 121.58 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.701 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.01 170.22 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.44 126.43 17.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.832 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.7 t80 -99.15 130.78 45.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.687 HG22 ' HA ' ' A' ' 98' ' ' GLU . 9.7 p -136.92 175.7 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 121' ' ' MET . 43.5 mt -138.85 94.78 9.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.676 0.75 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.1 Cg_endo -69.77 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.277 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.04 109.23 16.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.63 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.9 t -107.28 89.07 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.68 52.66 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -45.42 -33.39 2.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -50.24 -42.92 52.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -120.83 -69.01 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.568 ' CD1' HG23 ' A' ' 149' ' ' ILE . 26.3 p90 -138.62 131.76 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.4 tp -92.35 145.83 24.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.58 ' CE ' HD22 ' A' ' 156' ' ' LEU . 13.3 mtp -127.11 138.13 53.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.65 157.66 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.53 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.4 t-160 -140.2 108.49 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.832 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.5 tt -119.38 138.77 52.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.53 HD11 ' CE1' ' A' ' 123' ' ' HIS . 20.3 mt -125.68 129.41 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -119.52 133.93 55.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -120.4 99.03 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -136.86 154.9 50.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.4 t0 62.02 27.28 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.89 5.52 70.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.525 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -128.95 149.33 50.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.015 0.436 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.1 t -139.62 159.96 40.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -150.45 154.23 37.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -91.12 109.46 20.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 136' ' ' MET . 3.3 tm? -97.86 140.33 32.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.653 ' N ' HD13 ' A' ' 135' ' ' LEU . 1.5 mtp -146.17 113.94 6.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.463 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -104.81 116.33 5.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.615 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.65 126.93 31.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.615 ' N ' HD23 ' A' ' 138' ' ' LEU . 19.2 m-85 -120.44 151.4 39.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -148.71 147.86 18.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -31.65 14.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.35 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -103.16 162.71 19.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.62 0.724 . . . . 0.0 110.887 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.6 Cg_endo -69.8 -6.92 19.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.307 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -150.74 149.91 30.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.856 HD12 HG21 ' A' ' 41' ' ' ILE . 21.6 mt -115.86 141.37 48.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.6 t -67.59 179.1 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.3 m -78.76 -4.14 47.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -90.29 -33.03 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.569 HG22 HD13 ' A' ' 145' ' ' LEU . 87.3 mt -91.22 -45.85 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -53.67 -29.9 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -72.73 -31.53 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -59.37 -47.64 84.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 14.2 t80 -63.6 -22.78 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.715 ' HB1' ' CD ' ' A' ' 164' ' ' ARG . . . -80.86 -16.24 54.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -79.78 -28.18 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.58 HD22 ' CE ' ' A' ' 121' ' ' MET . 1.1 tp -91.64 -34.29 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 8.8 p -49.99 -31.96 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.63 -42.03 68.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -66.43 -16.46 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -98.47 7.67 45.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.15 -9.39 69.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 13.4 mt -84.17 103.28 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 111.185 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.5 150.07 3.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.715 ' CD ' ' HB1' ' A' ' 154' ' ' ALA . 1.0 OUTLIER -61.25 -22.98 65.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.642 ' HB2' HD12 ' A' ' 163' ' ' LEU . 17.0 mt-10 -78.26 -25.03 46.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.561 ' O ' HD12 ' A' ' 168' ' ' ILE . 7.8 m-20 -69.91 -10.81 59.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.586 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.6 mp -70.38 118.79 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.753 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -103.95 112.29 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.664 ' HA ' HD12 ' A' ' 42' ' ' ILE . 16.1 p-10 -81.06 126.17 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.821 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.75 25.17 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 4.0 m -62.16 -25.98 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -118.42 29.3 7.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -137.22 122.86 19.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -174.32 103.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.4 154.78 51.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 11.1 t -113.16 -48.0 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.487 ' H ' HD23 ' A' ' 177' ' ' LEU . 0.3 OUTLIER -55.57 176.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.53 146.87 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -78.92 169.04 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.39 161.76 35.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.6 mtt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.771 0.32 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.06 175.69 29.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.1 p -124.6 174.12 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 t -75.8 109.28 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -145.89 -178.99 6.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -97.48 170.39 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -53.63 172.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -146.99 116.01 6.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.556 ' O ' HD12 ' A' ' 16' ' ' ILE . 84.4 m-70 -96.57 -169.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -86.24 116.64 24.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 14' ' ' HIS . 3.2 mp -138.07 152.58 26.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -94.96 -32.72 13.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.461 ' H ' HG22 ' A' ' 16' ' ' ILE . . . 77.24 -92.12 1.05 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.447 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -133.68 172.44 12.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.824 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -139.69 170.28 16.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -179.53 1.72 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.658 ' O ' HG22 ' A' ' 114' ' ' THR . . . -167.35 -178.64 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p -129.79 157.95 40.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -7.79 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.2 p -50.97 -26.72 6.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.75 40.54 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.71 105.87 5.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.9 t30 63.0 39.63 10.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CD2' HG21 ' A' ' 114' ' ' THR . 31.0 t80 -100.0 140.49 34.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.85 95.65 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.965 HG23 HD11 ' A' ' 34' ' ' ILE . 9.6 p -77.52 -17.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.074 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -65.13 -15.1 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -88.16 -57.04 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.965 HD11 HG23 ' A' ' 31' ' ' VAL . 37.6 pt -52.79 -26.51 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.514 ' CG ' HG22 ' A' ' 66' ' ' VAL . 62.0 t30 -57.95 127.04 30.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.89 179.09 15.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -51.66 119.59 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.78 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.3 m95 -107.86 176.31 5.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -162.59 144.16 10.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.63 100.0 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.567 HG21 ' HB2' ' A' ' 145' ' ' LEU . 7.6 mm -66.0 -68.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 41' ' ' ILE . 29.0 mm -139.94 147.04 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.64 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.6 tp -118.34 128.01 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.519 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -134.05 127.44 32.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.663 ' OG ' HD22 ' A' ' 135' ' ' LEU . 2.9 m -163.23 149.26 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 17.0 t0 -68.98 81.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.566 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 165.78 79.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HD2' HD11 ' A' ' 168' ' ' ILE . 13.8 mmm-85 -56.3 -24.97 46.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -79.19 -7.32 58.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -100.1 -44.92 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.566 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -109.04 49.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.143 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.78 -169.51 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.47 -30.2 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.27 64.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -101.75 -168.44 27.44 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -115.66 -17.76 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -100.22 -7.51 24.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HB2' HD11 ' A' ' 170' ' ' LEU . 17.2 ptt85 -73.33 -6.54 46.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.664 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -49.57 159.37 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -86.99 160.55 18.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.585 HD23 ' HB3' ' A' ' 38' ' ' TRP . 49.4 tp -101.22 151.25 22.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -109.13 -172.72 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -80.6 107.99 13.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.78 HD12 ' CD1' ' A' ' 38' ' ' TRP . 4.4 mt -62.9 139.48 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -105.46 99.22 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.628 ' CG1' HG22 ' A' ' 31' ' ' VAL . 25.8 m -64.73 123.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.531 HD11 HG23 ' A' ' 72' ' ' VAL . 13.5 mt -110.63 -166.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -56.93 13.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -129.26 -19.52 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.411 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.9 m -108.65 -179.75 3.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.49 122.47 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.531 HG23 HD11 ' A' ' 67' ' ' LEU . 40.7 t -79.91 148.24 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -149.77 134.99 18.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 152.2 33.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.664 ' HB3' HD22 ' A' ' 59' ' ' LEU . 94.2 m-85 -128.91 165.98 20.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -113.36 115.65 28.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.646 ' CG2' HD23 ' A' ' 59' ' ' LEU . 73.1 p -138.51 142.48 39.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -93.68 161.14 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -148.45 120.28 8.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 59.53 47.69 10.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 59.46 35.1 22.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -140.41 121.7 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 73.1 m -51.63 147.72 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.54 -179.47 4.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -156.19 138.14 14.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.648 HD12 ' HE3' ' A' ' 88' ' ' MET . 0.6 OUTLIER -101.28 178.21 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t -129.86 128.97 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.648 ' HE3' HD12 ' A' ' 86' ' ' LEU . 17.8 mmt -125.3 159.41 31.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.2 t -150.1 104.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -85.55 124.58 32.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -118.53 152.08 36.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -66.92 152.05 46.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.1 p -137.04 173.39 11.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.94 -23.14 52.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -58.5 -176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.64 107.7 17.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.01 31.63 65.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.622 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.9 tt0 -124.71 106.16 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.536 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 6.0 m-85 -79.83 170.13 16.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.3 p -131.34 122.74 26.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.92 170.22 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.193 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.9 m -108.05 91.19 3.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.54 172.45 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -49.82 -26.83 4.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.46 161.47 26.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.525 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -50.38 124.03 9.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.58 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.1 169.44 23.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.59 133.58 25.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.825 ' HB2' HD12 ' A' ' 124' ' ' LEU . 3.8 t80 -103.06 138.13 40.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 98' ' ' GLU . 10.4 p -143.51 175.49 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 121' ' ' MET . 68.0 mt -139.86 90.37 10.95 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.711 0.767 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -48.74 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.398 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.26 109.07 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.8 t -110.26 89.32 2.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.89 52.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -32.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -48.31 -45.0 34.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -121.09 -65.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CD2' HG23 ' A' ' 149' ' ' ILE . 20.0 p90 -139.04 134.03 32.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 114' ' ' THR . 16.9 tp -91.82 147.1 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.527 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.2 mtm -128.21 135.8 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -125.92 169.35 12.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -150.19 109.87 4.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.825 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.7 tt -126.32 139.52 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.3 mt -127.0 133.27 68.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -120.94 131.94 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -118.35 99.93 7.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -143.96 156.39 44.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 62.19 31.77 17.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.09 18.12 66.51 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -144.97 148.15 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.1 t -140.01 159.23 42.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.76 158.54 44.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -94.06 107.84 19.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 136' ' ' MET . 3.0 tm? -89.98 137.7 32.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.717 ' N ' HD13 ' A' ' 135' ' ' LEU . 7.9 mtt -139.48 109.69 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.64 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -106.67 109.72 3.15 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.614 HD21 HD12 ' A' ' 145' ' ' LEU . 9.6 tp -79.86 133.48 36.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.465 ' N ' HD12 ' A' ' 138' ' ' LEU . 20.6 m-85 -126.28 157.5 38.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.65 153.39 24.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -51.39 -28.36 12.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.41 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.3 OUTLIER -108.05 163.1 17.7 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.2 Cg_endo -69.78 -6.49 18.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -150.93 149.17 29.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.614 HD12 HD21 ' A' ' 138' ' ' LEU . 28.6 mt -113.71 144.91 42.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.0 t -69.13 -179.79 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 p -79.11 -5.27 53.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.7 -33.48 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.563 HG23 ' CD2' ' A' ' 119' ' ' PHE . 94.2 mt -90.71 -44.17 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -53.26 -31.17 42.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -71.02 -31.45 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -65.14 -20.51 66.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.476 ' HB2' HD22 ' A' ' 138' ' ' LEU . 17.4 t80 -80.19 -45.91 17.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.87 -23.43 31.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -61.6 -59.62 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.0 tp -60.03 -31.16 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 78.0 m -57.27 -70.28 0.13 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -57.89 -24.25 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -76.83 -25.41 53.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -95.38 -6.55 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 107.79 11.05 25.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 40.0 mt -103.56 104.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.908 0.385 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.09 153.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.734 ' HA ' HD13 ' A' ' 167' ' ' ILE . 40.9 tpt85 -67.04 -23.69 65.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.52 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.2 mt-10 -72.88 -19.99 61.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.614 ' O ' HD12 ' A' ' 168' ' ' ILE . 17.4 m-20 -80.67 -9.54 59.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.734 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -69.76 109.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.729 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.2 mp -103.57 132.92 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 42' ' ' ILE . 5.4 p-10 -83.92 138.05 33.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 58' ' ' ARG . 4.6 mm? -110.89 -27.39 8.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -30.0 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -114.95 29.61 7.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -135.03 111.81 10.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -179.47 136.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.16 -62.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.9 t 63.25 27.27 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 59.1 mt -120.37 -70.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -155.58 143.61 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -90.03 170.1 10.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -122.48 149.12 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.17 125.44 1.11 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 p -115.1 176.65 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.806 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 m -137.72 177.93 7.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -168.86 171.24 8.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -78.55 173.82 12.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -111.6 -74.71 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -174.2 -175.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.645 ' CE1' HD11 ' A' ' 16' ' ' ILE . 1.9 t-160 -63.62 174.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.642 ' O ' HD13 ' A' ' 16' ' ' ILE . 10.1 p80 -157.61 115.03 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.645 HD11 ' CE1' ' A' ' 14' ' ' HIS . 24.2 mm -134.84 150.79 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.18 -174.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.02 -42.59 1.41 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 80.6 mtm-85 -79.62 154.73 28.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.71 0.291 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -58.56 170.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.41 -179.8 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.69 ' O ' HG22 ' A' ' 114' ' ' THR . . . -146.46 -179.4 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 t -130.56 161.72 30.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -6.64 46.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.9 p -53.8 -24.57 15.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.57 40.18 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -128.84 102.1 6.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.2 t30 52.88 49.77 19.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.455 ' CD2' HG21 ' A' ' 114' ' ' THR . 35.6 t80 -100.08 143.22 30.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -129.74 107.48 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.834 HG23 HD11 ' A' ' 34' ' ' ILE . 8.0 p -89.95 -15.07 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.83 -12.09 61.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.809 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -89.67 -55.83 3.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.834 HD11 HG23 ' A' ' 31' ' ' VAL . 25.8 pt -54.18 -24.9 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.516 ' ND2' HG22 ' A' ' 66' ' ' VAL . 10.6 t-20 -58.78 128.1 35.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.53 178.8 15.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -51.64 119.87 4.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 0.0 110.812 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.797 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.2 m95 -106.66 178.99 4.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -162.47 139.79 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.8 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.77 99.96 12.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.58 HG21 HD12 ' A' ' 145' ' ' LEU . 7.8 mm -65.91 -64.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.513 HD13 ' O ' ' A' ' 41' ' ' ILE . 26.6 mm -142.21 144.32 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.498 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.3 tp -114.56 130.71 56.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.517 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -134.98 130.18 35.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 t -166.52 146.0 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 26.2 t0 -68.18 81.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.86 73.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.716 ' HD2' HD11 ' A' ' 168' ' ' ILE . 3.3 mmm180 -55.38 -29.08 57.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.08 -4.98 41.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -100.97 -50.39 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.691 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -96.38 42.33 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.65 -174.21 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.42 117.18 2.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 60.42 40.15 17.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.71 -144.63 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -124.92 -36.13 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -96.74 -8.4 31.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.688 ' HG3' HD11 ' A' ' 170' ' ' LEU . 33.5 ttt180 -75.47 67.39 2.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.676 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -117.69 155.5 29.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -83.35 132.9 34.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.544 HD12 ' H ' ' A' ' 62' ' ' GLU . 45.1 tp -77.47 148.91 35.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.544 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -109.47 -170.28 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -79.7 107.22 12.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.797 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.7 mt -61.84 139.4 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -104.92 99.28 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.544 HG12 HG22 ' A' ' 31' ' ' VAL . 19.4 m -64.99 121.17 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.529 HD11 HG23 ' A' ' 72' ' ' VAL . 16.6 mt -110.56 -167.45 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -60.58 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -129.6 -16.1 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.2 m -109.79 -179.92 3.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.31 127.78 8.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.542 HG13 HG22 ' A' ' 89' ' ' VAL . 60.5 t -86.58 143.37 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.469 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.2 pt? -144.33 130.57 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -107.35 151.0 26.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.65 ' CB ' HD22 ' A' ' 59' ' ' LEU . 20.3 m-85 -121.53 173.62 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -125.57 102.06 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.676 ' CG2' HD23 ' A' ' 59' ' ' LEU . 38.1 p -119.19 148.37 43.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 m -105.21 158.53 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.45 120.95 7.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 t70 63.48 44.86 5.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 61.8 25.01 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -125.58 145.4 50.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 93.0 m -73.45 144.19 46.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.43 -179.52 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.26 143.76 13.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.497 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -106.11 178.92 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.3 p -128.22 125.2 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.479 ' CE ' HD12 ' A' ' 86' ' ' LEU . 16.2 mmt -131.01 156.18 45.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.542 HG22 HG13 ' A' ' 72' ' ' VAL . 97.9 t -150.19 109.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -84.13 116.16 22.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.48 141.92 38.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -55.32 167.32 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.7 p -151.85 179.83 8.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.192 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -66.82 -21.31 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -59.3 177.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.2 105.96 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.65 32.89 82.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.639 ' HA ' HG22 ' A' ' 110' ' ' THR . 34.4 tt0 -134.36 109.39 8.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.602 ' O ' HG22 ' A' ' 108' ' ' THR . 3.8 m-85 -80.14 170.1 16.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.81 113.3 18.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.422 HG22 ' HB2' ' A' ' 90' ' ' ALA . 55.8 t -96.76 145.96 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.227 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.8 m -95.81 92.68 6.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.32 173.02 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.39 -27.91 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.65 -90.02 0.73 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.465 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -158.64 135.56 9.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.525 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -161.05 170.52 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -145.03 123.44 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.784 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.4 t80 -99.45 138.03 37.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.6 p -143.62 177.83 8.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.667 HG23 ' O ' ' A' ' 121' ' ' MET . 79.1 mt -141.95 89.5 8.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.84 -32.07 18.96 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.28 108.44 9.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.1 t -106.43 89.27 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.62 48.68 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -42.96 -33.9 0.88 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -46.09 -46.03 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -122.43 -69.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.543 ' CD2' HG23 ' A' ' 149' ' ' ILE . 30.5 p90 -133.13 132.66 41.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 114' ' ' THR . 24.7 tp -93.25 151.64 19.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.667 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.5 mtt -128.56 141.5 51.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -145.22 132.37 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.688 ' CE1' HD11 ' A' ' 125' ' ' ILE . 12.3 t-160 -115.98 108.03 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.784 HD12 ' HB2' ' A' ' 109' ' ' PHE . 3.7 tt -115.93 151.34 35.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.688 HD11 ' CE1' ' A' ' 123' ' ' HIS . 4.9 mt -137.6 138.68 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -122.16 118.65 29.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -112.71 100.54 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -146.8 156.53 43.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t70 63.53 26.77 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.791 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.64 5.82 69.71 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -129.42 147.09 51.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.3 t -143.27 160.69 40.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.563 ' HE2' HD12 ' A' ' 135' ' ' LEU . 0.4 OUTLIER -153.53 149.83 28.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -93.67 110.48 22.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.563 HD12 ' HE2' ' A' ' 133' ' ' PHE . 6.6 tt -108.91 142.85 38.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.61 ' SD ' HD23 ' A' ' 156' ' ' LEU . 18.8 ttm -133.02 118.62 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.498 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -98.69 111.29 4.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 139' ' ' TYR . 8.5 tp -84.74 130.71 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.833 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.461 ' N ' HD12 ' A' ' 138' ' ' LEU . 14.8 m-85 -125.5 157.11 37.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -146.41 154.48 25.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -53.93 -23.34 12.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -118.14 163.32 25.44 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.717 0.77 . . . . 0.0 110.869 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.0 Cg_endo -69.7 -4.77 14.66 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.738 2.292 . . . . 0.0 112.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -149.04 140.04 22.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.58 HD12 HG21 ' A' ' 41' ' ' ILE . 17.7 mt -109.3 158.38 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.6 t -82.38 179.74 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.5 m -80.4 -6.11 57.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.38 -32.82 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.543 HG23 ' CD2' ' A' ' 119' ' ' PHE . 87.8 mt -91.02 -44.15 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -28.83 35.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.0 -31.18 61.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -63.36 -21.16 66.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.408 ' HB2' HD22 ' A' ' 138' ' ' LEU . 6.0 t80 -80.35 -43.91 20.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.01 -22.03 47.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -62.58 -56.36 18.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.61 HD23 ' SD ' ' A' ' 136' ' ' MET . 16.1 tp -67.72 -28.23 67.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 96.3 m -55.1 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.38 -29.82 67.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -68.48 -30.08 68.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -91.49 10.89 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.96 17.08 58.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 10.1 mt -111.37 99.52 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.145 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.57 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.16 160.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.766 ' HA ' HD13 ' A' ' 167' ' ' ILE . 11.8 tpt85 -72.38 -26.61 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.57 ' HB2' HD12 ' A' ' 163' ' ' LEU . 1.9 mm-40 -68.08 -13.21 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.57 ' O ' HD12 ' A' ' 168' ' ' ILE . 53.3 m-20 -90.69 -7.79 51.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.766 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -73.92 109.73 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.716 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.7 mp -102.57 134.1 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.459 ' HA ' HD12 ' A' ' 42' ' ' ILE . 3.2 p-10 -87.95 137.53 32.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.688 HD11 ' HG3' ' A' ' 58' ' ' ARG . 4.5 mm? -111.65 -24.84 9.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 2.4 t -51.69 -42.5 62.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -109.78 25.93 11.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.563 ' HB1' ' NH2' ' A' ' 58' ' ' ARG . . . -138.78 110.24 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -159.76 123.82 3.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -146.82 106.48 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -94.4 -25.37 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 11.0 mt -120.72 176.62 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -165.84 143.27 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.19 155.48 19.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -135.19 -177.84 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 20.3 tpp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.853 0.359 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.23 -140.7 4.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 p -117.71 168.67 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -94.96 119.91 34.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -168.99 161.48 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -99.87 82.13 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -101.86 49.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -51.9 -36.14 47.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -75.94 99.13 4.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -97.4 106.85 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.81 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -140.58 144.2 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -80.84 141.19 34.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.67 -47.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.9 mtt-85 -79.88 116.58 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -140.01 169.8 17.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.7 175.81 4.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.588 ' O ' HG22 ' A' ' 114' ' ' THR . . . -170.05 -179.6 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -138.57 165.88 25.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -1.56 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.7 p -60.12 -18.4 47.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.68 40.16 1.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.51 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -133.08 100.18 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 t30 51.92 50.94 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' HG21 ' A' ' 114' ' ' THR . 51.6 t80 -100.21 133.51 44.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -122.66 108.84 13.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.789 HG23 HD11 ' A' ' 34' ' ' ILE . 10.5 p -90.24 -13.08 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.76 -11.55 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -90.26 -54.19 4.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.789 HD11 HG23 ' A' ' 31' ' ' VAL . 18.5 pt -55.4 -25.61 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -57.79 127.59 32.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.36 -178.79 17.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.417 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' N ' HE21 ' A' ' 63' ' ' GLN . 73.8 mt-10 -53.93 119.83 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.765 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.7 m95 -107.71 177.78 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -163.12 149.2 12.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.2 102.34 14.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.675 HG21 HD12 ' A' ' 145' ' ' LEU . 7.0 mm -73.02 -65.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 41' ' ' ILE . 30.4 mm -138.3 147.38 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.543 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.0 tp -120.54 122.52 40.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.988 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.599 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -129.47 132.34 46.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.524 ' OG ' HD12 ' A' ' 51' ' ' ILE . 64.3 p -170.35 148.8 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.9 p-10 -69.13 80.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.619 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.77 75.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.708 ' HD2' HD11 ' A' ' 168' ' ' ILE . 9.8 mmm-85 -55.25 -27.66 47.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.98 -5.95 48.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 -44.27 5.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.641 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -104.5 45.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.059 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.99 -171.62 1.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -49.48 -57.39 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -107.45 49.05 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.56 -162.73 18.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -120.07 -29.34 4.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -95.2 -1.23 52.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.505 ' CD ' HD11 ' A' ' 170' ' ' LEU . 0.2 OUTLIER -72.42 78.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 -179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.659 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -136.25 156.2 49.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -85.39 160.17 19.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' A' ' 38' ' ' TRP . 34.2 tp -102.4 150.5 23.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -109.1 -172.68 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.404 HE21 ' N ' ' A' ' 37' ' ' GLU . 6.1 tt0 -81.02 107.94 14.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.765 HD12 ' CD1' ' A' ' 38' ' ' TRP . 3.7 mt -62.27 139.7 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.63 99.69 9.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 31' ' ' VAL . 74.3 t -64.62 130.16 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 70' ' ' SER . 13.2 mt -118.04 -167.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.14 -53.85 47.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -132.28 -20.09 2.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.49 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.0 m -108.31 -179.06 3.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -155.97 123.6 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.413 HG23 HD11 ' A' ' 67' ' ' LEU . 50.5 t -79.75 148.07 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -147.96 137.88 22.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.74 152.15 40.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 50.9 m-85 -127.95 -172.79 2.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -132.79 110.14 10.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.659 ' CG2' HD23 ' A' ' 59' ' ' LEU . 39.9 p -129.33 142.46 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' A' ' 83' ' ' CYS . 2.6 m -106.36 161.28 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.3 tpp180 -147.73 114.78 6.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t0 64.89 51.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.418 ' OE2' ' HB3' ' A' ' 179' ' ' ALA . 31.9 mt-10 60.25 27.73 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -125.73 119.98 29.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.589 ' HA ' HG12 ' A' ' 78' ' ' VAL . 68.6 m -65.78 137.93 57.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.04 -179.72 8.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -154.97 143.77 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -110.35 178.21 4.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -137.75 148.7 45.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.49 ' HE1' HD11 ' A' ' 86' ' ' LEU . 5.2 mtt -145.3 170.24 16.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.5 t -139.36 99.31 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.43 116.93 20.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.89 164.19 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -79.37 152.34 30.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 76.4 p -135.5 173.07 12.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.31 -19.83 56.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -59.84 -172.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.04 106.82 17.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 51.96 33.07 35.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.515 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.68 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.7 tt0 -120.99 107.05 12.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.901 0.382 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -79.55 170.01 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.952 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.06 126.25 39.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.91 170.43 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.8 m -104.56 91.27 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.231 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.29 171.82 7.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.94 -25.93 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.09 169.2 26.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -50.81 121.55 6.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.538 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -157.66 169.87 23.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.65 133.7 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.812 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.2 t80 -102.86 134.34 46.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.68 HG22 ' HA ' ' A' ' 98' ' ' GLU . 13.1 p -140.16 175.18 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 121' ' ' MET . 9.1 mt -137.01 94.93 12.3 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.84 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.43 ' CE ' HD13 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -119.13 108.59 14.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.692 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -107.42 90.31 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.68 52.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.12 -33.84 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -49.84 -42.77 48.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -121.07 -68.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.614 ' CD2' HG23 ' A' ' 149' ' ' ILE . 24.5 p90 -139.06 133.23 31.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 114' ' ' THR . 23.8 tp -91.91 150.32 21.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.3 mtm -131.43 135.9 47.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -129.77 154.63 47.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.588 ' CE1' HD11 ' A' ' 125' ' ' ILE . 9.8 t-160 -137.93 109.56 7.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.2 tt -120.95 137.54 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.588 HD11 ' CE1' ' A' ' 123' ' ' HIS . 21.2 mt -121.72 133.68 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -124.02 121.64 35.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -111.02 101.73 10.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -143.31 158.82 43.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 58.14 34.26 23.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 65.55 14.72 60.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -137.67 148.0 45.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.6 t -142.29 160.25 40.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.444 ' HE2' HD23 ' A' ' 135' ' ' LEU . 3.0 p90 -154.39 154.57 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -93.56 109.25 20.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.672 HD13 ' N ' ' A' ' 136' ' ' MET . 3.1 tm? -96.26 139.2 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.672 ' N ' HD13 ' A' ' 135' ' ' LEU . 3.5 mtm -140.18 116.74 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.543 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -108.31 109.89 2.98 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.458 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 139' ' ' TYR . 2.6 tp -79.49 123.0 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.555 ' N ' HD12 ' A' ' 138' ' ' LEU . 18.1 m-85 -114.98 161.49 18.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.035 0.445 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -154.1 152.28 23.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -50.14 -31.67 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.472 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 2.5 mm-40 -108.03 160.12 28.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.2 Cg_endo -69.77 -6.47 18.69 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -147.15 138.47 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.675 HD12 HG21 ' A' ' 41' ' ' ILE . 30.9 mt -108.59 145.49 34.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -69.61 179.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.4 m -80.25 -5.4 56.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -90.6 -31.57 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.614 HG23 ' CD2' ' A' ' 119' ' ' PHE . 88.4 mt -91.08 -43.28 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -58.75 -27.82 65.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -74.18 -30.76 62.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 -58.75 -45.76 88.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 9.5 t80 -61.73 -36.73 81.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.849 ' HB1' ' HD2' ' A' ' 164' ' ' ARG . . . -63.6 -17.61 63.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -80.42 -28.0 37.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.43 HD13 ' CE ' ' A' ' 113' ' ' LYS . 9.3 tp -90.85 -35.97 14.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 9.8 p -51.24 -33.3 27.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.0 -35.83 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.92 -26.24 65.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.837 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -90.71 7.23 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 86.2 -8.0 75.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.7 mt -82.48 101.84 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.891 0.377 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.13 151.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.993 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.849 ' HD2' ' HB1' ' A' ' 154' ' ' ALA . 2.0 mmm180 -62.38 -23.71 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.658 ' HB2' HD12 ' A' ' 163' ' ' LEU . 12.4 mm-40 -75.57 -25.33 57.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.543 ' O ' HD12 ' A' ' 168' ' ' ILE . 16.8 m-20 -70.76 -10.19 58.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.599 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -71.4 118.67 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.708 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -105.06 123.46 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.422 ' HA ' HD12 ' A' ' 42' ' ' ILE . 9.7 p-10 -71.24 132.38 44.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.505 HD11 ' CD ' ' A' ' 58' ' ' ARG . 3.4 mm? -103.48 -25.29 13.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.1 p -52.77 -28.89 24.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -113.04 29.97 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -133.11 114.5 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -179.38 136.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -147.96 -75.14 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.8 t 51.78 61.17 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 88.0 mt -132.45 -176.28 4.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -125.75 114.43 18.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.001 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . 0.418 ' HB3' ' OE2' ' A' ' 81' ' ' GLU . . . -83.99 170.35 14.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.62 171.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.773 0.32 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.4 -152.58 23.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.7 p -132.59 178.43 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -83.05 -174.88 5.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -129.25 -67.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -125.94 150.09 48.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -161.23 179.78 8.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 63.37 58.59 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.788 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -111.23 158.13 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -155.54 167.27 30.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -140.34 150.24 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.16 161.09 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.91 -176.4 43.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.545 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -137.21 160.3 39.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -139.86 169.97 16.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.85 -179.84 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.645 ' O ' HG22 ' A' ' 114' ' ' THR . . . -158.2 -179.09 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -130.78 155.79 46.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -72.26 -7.61 50.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.7 p -57.08 -20.43 25.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.95 40.11 1.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -128.27 99.75 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.7 t30 54.25 49.02 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CD2' HG21 ' A' ' 114' ' ' THR . 30.5 t80 -99.98 141.81 32.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -130.08 102.19 6.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.995 HG23 HD11 ' A' ' 34' ' ' ILE . 8.1 p -83.46 -19.23 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -62.64 -20.13 64.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -82.8 -57.43 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.995 HD11 HG23 ' A' ' 31' ' ' VAL . 46.4 pt -54.11 -25.79 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.422 ' CG ' HG23 ' A' ' 66' ' ' VAL . 60.0 t30 -55.22 143.09 28.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.85 -175.21 17.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.585 ' N ' HE21 ' A' ' 63' ' ' GLN . 15.3 pt-20 -57.39 132.76 54.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.811 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.5 m95 -116.53 -176.67 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -162.73 139.41 7.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.09 99.94 12.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.718 HG21 HD12 ' A' ' 145' ' ' LEU . 7.7 mm -69.09 -68.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 41' ' ' ILE . 25.2 mm -138.44 149.26 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.748 HD23 ' CG2' ' A' ' 51' ' ' ILE . 1.4 tp -124.57 119.6 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -121.94 135.83 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.527 ' HB2' HD22 ' A' ' 135' ' ' LEU . 38.8 t -171.11 143.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.2 t70 -69.33 81.97 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.703 ' O ' HD12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.4 61.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.499 ' HD2' HD11 ' A' ' 168' ' ' ILE . 7.3 mmm180 -39.6 -48.88 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -51.63 -41.72 61.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 47' ' ' LYS . 14.1 tppt? -69.16 -50.35 48.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.748 ' CG2' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -99.26 47.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.75 -173.59 2.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -48.83 -60.68 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -94.76 25.59 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.58 -170.66 0.41 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -117.8 -21.74 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -96.47 -4.29 41.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' A' ' 170' ' ' LEU . 6.7 tmm_? -75.05 72.05 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.655 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -127.07 149.86 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -81.32 159.82 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.722 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.1 tp -96.74 152.95 18.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -109.06 -172.21 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.585 HE21 ' N ' ' A' ' 37' ' ' GLU . 6.1 tt0 -79.93 107.96 13.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.811 HD12 ' CD1' ' A' ' 38' ' ' TRP . 23.1 mt -71.09 139.76 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -109.72 142.09 41.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.422 HG23 ' CG ' ' A' ' 35' ' ' ASN . 64.4 t -94.79 118.01 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.19 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.62 HD21 HG23 ' A' ' 72' ' ' VAL . 2.0 mm? -109.39 -170.43 1.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -56.66 7.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -144.75 13.29 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.525 ' C ' HD23 ' A' ' 71' ' ' LEU . 1.4 m -127.13 -179.51 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.525 HD23 ' C ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -149.01 116.81 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.62 HG23 HD21 ' A' ' 67' ' ' LEU . 97.9 t -79.97 114.52 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.728 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.6 pt? -121.39 137.14 54.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mttp -123.38 152.61 41.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.728 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 49.2 m-85 -130.35 168.14 17.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -114.93 118.07 32.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.655 ' CG2' HD23 ' A' ' 59' ' ' LEU . 36.2 p -134.02 137.61 44.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 m -93.6 161.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.15 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.1 tpt85 -149.99 121.19 7.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 59.62 46.96 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 61.03 29.18 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -131.97 119.83 21.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 80.0 m -55.14 146.58 18.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.78 -179.7 4.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.94 149.4 23.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -112.38 176.25 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.1 p -123.06 132.31 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.52 159.46 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 89' ' ' VAL . 2.5 p -150.05 101.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -79.17 115.4 18.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.17 156.02 22.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -65.25 159.13 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 100' ' ' SER . 34.4 p -146.11 175.76 10.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.56 -24.11 44.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.11 178.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.36 112.35 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.76 25.27 65.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.7 ' HA ' HG22 ' A' ' 110' ' ' THR . 6.9 tt0 -125.15 104.52 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.426 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 21.5 m-85 -80.16 170.04 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.415 ' HB2' HG21 ' A' ' 93' ' ' THR . 0.3 OUTLIER -128.78 127.21 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.9 m -109.18 170.36 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.4 m -103.08 92.25 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.11 173.2 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.11 -28.29 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -140.03 -152.05 5.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.522 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -84.39 125.58 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.411 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.97 164.09 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.56 131.33 20.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.811 ' HB2' HD12 ' A' ' 124' ' ' LEU . 6.2 t80 -98.82 135.96 39.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 98' ' ' GLU . 22.2 p -140.8 173.62 11.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 121' ' ' MET . 60.5 mt -138.86 89.67 12.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.645 0.736 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.7 Cg_endo -69.81 -45.78 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.343 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.35 107.74 15.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.9 t -108.6 89.45 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.2 50.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -44.45 -32.7 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -47.84 -45.17 29.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -122.09 -68.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.558 ' CD2' HG23 ' A' ' 149' ' ' ILE . 23.0 p90 -135.59 132.65 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 114' ' ' THR . 20.2 tp -92.62 149.88 21.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.522 ' O ' HG23 ' A' ' 111' ' ' ILE . 2.5 mtp -128.04 143.77 51.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.36 166.42 24.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.059 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.573 ' CE1' HD11 ' A' ' 125' ' ' ILE . 17.6 t-160 -150.13 111.62 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.811 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.6 tt -126.91 127.64 45.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' A' ' 123' ' ' HIS . 7.9 mt -113.96 140.27 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -127.73 146.4 50.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -133.31 99.42 4.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -146.32 160.74 41.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 63.95 20.14 12.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 77.71 20.71 73.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -150.16 154.03 37.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.401 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.2 t -141.72 160.24 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -153.6 151.85 30.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -91.49 107.12 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.7 HD13 ' N ' ' A' ' 136' ' ' MET . 3.1 tm? -97.87 139.37 33.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.7 ' N ' HD13 ' A' ' 135' ' ' LEU . 9.7 mtp -139.13 118.39 12.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.629 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -103.47 110.35 3.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.551 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.641 HD22 ' HB2' ' A' ' 153' ' ' PHE . 2.5 tp -82.84 119.1 23.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.552 ' N ' HD12 ' A' ' 138' ' ' LEU . 18.2 m-85 -110.72 155.15 22.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -143.2 149.19 21.13 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.402 ' HG3' ' HG2' ' A' ' 142' ' ' GLU . 14.5 ptt-85 -50.05 -30.49 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.709 0.29 . . . . 0.0 110.871 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -109.95 163.72 16.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.0 Cg_endo -69.8 -5.13 15.5 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.292 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -150.75 138.83 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 41' ' ' ILE . 25.7 mt -108.64 149.42 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.4 t -74.92 -179.88 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 m -80.17 -4.1 51.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -90.78 -33.2 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.558 HG23 ' CD2' ' A' ' 119' ' ' PHE . 90.9 mt -90.87 -43.68 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -54.1 -28.2 37.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -76.28 -30.35 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -62.86 -23.54 67.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.641 ' HB2' HD22 ' A' ' 138' ' ' LEU . 16.8 t80 -79.92 -42.32 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -58.16 -21.86 48.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -63.98 -50.93 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.521 HD22 ' CE ' ' A' ' 121' ' ' MET . 0.6 OUTLIER -73.88 -24.43 59.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 92.1 m -59.47 -69.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -55.67 -30.66 61.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.66 -28.54 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -92.52 15.22 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.88 9.05 78.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 31.4 mt -106.84 97.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.34 166.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.775 ' HA ' HD13 ' A' ' 167' ' ' ILE . 5.1 tpp85 -73.64 -30.37 62.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.59 ' HB2' HD12 ' A' ' 163' ' ' LEU . 20.6 mm-40 -66.8 -13.28 61.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.505 ' O ' HD12 ' A' ' 168' ' ' ILE . 10.8 m-20 -90.35 -5.81 55.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.775 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -76.44 109.56 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 166' ' ' ASN . 2.0 mp -101.45 125.49 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.498 ' HA ' HD12 ' A' ' 42' ' ' ILE . 1.6 p30 -84.47 128.84 34.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.43 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.3 mm? -97.31 -18.08 19.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 21.4 p -56.87 -22.74 39.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -94.05 -24.83 17.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -120.38 109.7 15.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -140.06 36.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -116.38 147.64 41.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.69 -36.74 47.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 177' ' ' LEU . 0.3 OUTLIER -149.7 164.62 34.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -93.94 18.75 9.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -83.4 166.5 18.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 154.95 47.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.0 mmt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.785 0.326 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.19 175.03 35.48 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.532 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -134.05 179.94 5.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -119.22 179.01 4.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -163.08 176.85 9.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -114.94 131.03 57.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.9 -173.48 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -151.05 -176.8 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -124.06 170.63 10.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -145.97 179.73 7.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mp -110.03 149.48 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -149.11 -176.44 5.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.35 -171.85 0.46 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -80.37 130.38 35.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.732 0.301 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.25 152.68 20.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.87 -179.93 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.704 ' O ' HG22 ' A' ' 114' ' ' THR . . . -162.91 -179.79 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 m -131.99 161.81 32.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -74.33 -6.69 49.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 p -53.55 -24.64 14.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.5 40.14 1.39 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -130.15 100.19 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.919 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.5 t30 56.74 47.42 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CD2' HG21 ' A' ' 114' ' ' THR . 40.0 t80 -100.16 142.85 31.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.46 107.46 9.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.903 HG23 HD11 ' A' ' 34' ' ' ILE . 7.1 p -90.28 -13.49 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.11 -15.73 63.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -86.54 -56.29 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.903 HD11 HG23 ' A' ' 31' ' ' VAL . 22.7 pt -54.65 -24.92 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -59.8 126.43 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.81 179.42 16.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -51.71 119.68 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.747 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.8 m95 -106.31 -178.94 3.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -162.7 144.87 10.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.6 m -93.87 99.68 12.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.725 HG21 HD12 ' A' ' 145' ' ' LEU . 8.4 mm -68.21 -68.1 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.576 HD13 ' O ' ' A' ' 41' ' ' ILE . 25.4 mm -138.89 149.57 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 51' ' ' ILE . 1.6 tp -122.63 115.46 22.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.488 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -121.39 129.8 53.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.608 ' HB2' HD22 ' A' ' 135' ' ' LEU . 29.4 t -168.22 149.36 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 5.0 t0 -68.81 81.69 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 166.8 74.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.528 ' HD2' HD11 ' A' ' 168' ' ' ILE . 3.0 mmm180 -56.14 -25.56 46.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.64 -5.14 52.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.73 -40.51 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.496 HG22 HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -113.5 51.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.1 -170.74 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.95 -31.32 28.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -130.91 66.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -102.31 -171.42 27.11 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.56 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -117.26 -27.99 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -88.81 -6.92 57.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -81.44 61.38 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.699 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -111.8 149.37 31.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -79.43 117.29 20.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.439 HD23 ' HB3' ' A' ' 38' ' ' TRP . 42.6 tp -58.75 152.77 18.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' H ' HD12 ' A' ' 61' ' ' LEU . 63.8 mm-40 -109.33 -173.03 2.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -81.2 107.5 14.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.747 HD12 ' CD1' ' A' ' 38' ' ' TRP . 3.9 mt -62.68 139.75 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -107.66 100.39 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.05 123.37 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.561 HD11 HG23 ' A' ' 72' ' ' VAL . 14.7 mt -111.42 -167.46 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -60.22 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -127.67 -18.21 4.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.7 m -109.3 -179.46 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.49 124.93 8.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.561 HG23 HD11 ' A' ' 67' ' ' LEU . 47.1 t -79.88 146.45 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.579 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.7 pt? -149.93 136.61 19.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -121.55 152.69 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.676 ' HB3' HD22 ' A' ' 59' ' ' LEU . 76.6 m-85 -130.67 167.24 19.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -133.67 102.43 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.699 ' CG2' HD23 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -122.01 134.75 54.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.529 HG13 ' C ' ' A' ' 82' ' ' GLU . 4.4 t -71.87 116.51 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.5 137.91 44.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.4 t70 53.45 41.04 32.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 62.33 25.61 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.529 ' C ' HG13 ' A' ' 78' ' ' VAL . 23.2 mt-10 -137.91 128.3 26.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.512 ' N ' HG13 ' A' ' 78' ' ' VAL . 58.3 m -50.19 149.44 2.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.8 t -170.19 173.19 5.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.79 146.5 30.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -116.92 177.36 4.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.0 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.2 m -133.42 128.43 35.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.2 mtm -136.34 170.37 16.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.0 p -149.87 108.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.29 115.35 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -103.58 169.5 8.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -87.04 165.95 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.8 p -151.31 179.45 8.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -80.97 -1.11 42.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -70.19 -174.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.54 99.66 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 54.45 25.61 34.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.391 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.681 ' HA ' HG22 ' A' ' 110' ' ' THR . 13.1 tt0 -113.32 110.42 20.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -80.22 163.21 24.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.59 122.1 39.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.17 138.17 51.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.5 m -75.5 92.99 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -106.47 172.53 6.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.55 -26.43 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.03 167.81 28.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.547 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -49.74 117.47 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.527 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -154.83 170.25 22.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.58 125.88 10.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.063 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.648 ' CB ' HD12 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -99.83 132.48 45.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 98' ' ' GLU . 7.2 p -134.07 174.64 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.475 HG23 ' O ' ' A' ' 121' ' ' MET . 31.1 mt -137.74 89.8 14.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.741 . . . . 0.0 111.167 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -49.13 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -112.51 107.67 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.8 t -108.14 89.16 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.01 50.75 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.08 -33.12 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.985 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -49.62 -43.47 46.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -121.99 -70.45 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.546 ' CD2' HG23 ' A' ' 149' ' ' ILE . 39.2 p90 -134.78 131.6 37.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 114' ' ' THR . 18.7 tp -93.3 148.89 21.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.475 ' O ' HG23 ' A' ' 111' ' ' ILE . 3.7 mmm -131.29 141.25 49.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.26 144.63 40.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.415 ' CE1' HD11 ' A' ' 125' ' ' ILE . 14.6 t-160 -123.11 117.71 26.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.648 HD12 ' CB ' ' A' ' 109' ' ' PHE . 4.8 tt -127.94 151.07 49.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.415 HD11 ' CE1' ' A' ' 123' ' ' HIS . 16.1 mt -139.99 136.32 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -126.99 125.96 42.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.772 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.59 99.82 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -139.11 155.18 48.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.58 31.64 18.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.84 9.93 60.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.548 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -133.81 149.16 51.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.903 0.383 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.7 t -139.48 160.09 40.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.59 149.06 30.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -90.41 107.2 19.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 136' ' ' MET . 2.7 tm? -98.17 139.95 33.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.726 ' N ' HD13 ' A' ' 135' ' ' LEU . 15.0 mtt -143.99 111.6 6.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.447 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -99.24 116.74 5.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.674 HD22 ' HB2' ' A' ' 153' ' ' PHE . 2.4 tp -88.27 121.98 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.579 ' N ' HD12 ' A' ' 138' ' ' LEU . 21.3 m-85 -113.27 155.41 25.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -142.26 149.09 20.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -29.57 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.4 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.7 OUTLIER -114.23 164.43 16.26 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.748 . . . . 0.0 110.846 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.4 Cg_endo -69.68 -4.45 13.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -147.38 136.95 22.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.725 HD12 HG21 ' A' ' 41' ' ' ILE . 20.0 mt -108.97 143.85 37.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -68.28 172.75 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.3 m -75.59 -5.7 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.65 -29.83 17.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.546 HG23 ' CD2' ' A' ' 119' ' ' PHE . 83.5 mt -90.96 -45.22 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.15 -30.94 39.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.13 -31.82 66.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -63.06 -26.66 68.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.674 ' HB2' HD22 ' A' ' 138' ' ' LEU . 14.5 t80 -75.49 -46.47 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -52.02 -29.07 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -60.9 -49.42 77.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.2 -27.07 65.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 60.8 m -65.9 -66.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -58.33 -22.55 53.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -80.86 -27.86 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -90.51 3.24 54.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 97.9 10.17 52.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 21.2 mt -104.2 104.44 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.344 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.84 150.76 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.71 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -64.94 -22.41 66.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.618 ' HB2' HD12 ' A' ' 163' ' ' LEU . 24.0 mm-40 -73.35 -20.51 60.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.501 ' O ' HD12 ' A' ' 168' ' ' ILE . 18.5 m-20 -80.81 -5.03 56.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.71 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -75.13 110.06 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.528 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.8 mp -101.62 121.2 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 42' ' ' ILE . 3.1 t0 -91.59 127.63 37.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.768 HD22 ' O ' ' A' ' 170' ' ' LEU . 0.0 OUTLIER -140.08 5.64 2.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . 0.438 ' N ' HD13 ' A' ' 170' ' ' LEU . 0.3 OUTLIER -50.64 -46.7 58.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -97.15 23.76 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -133.79 128.7 35.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -131.77 31.64 4.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.793 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -53.78 123.32 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.54 27.09 9.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 177' ' ' LEU . 0.6 OUTLIER -179.01 153.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -111.33 26.9 10.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -71.87 159.39 34.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.84 152.88 33.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.5 mtp . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.87 81.7 1.61 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.1 p -82.29 179.93 7.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -118.63 -74.15 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -171.4 177.43 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -172.2 172.57 4.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -107.82 -176.21 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -164.66 159.52 18.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -78.84 171.78 14.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -92.25 173.03 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.4 mm -99.94 144.65 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.79 -33.02 7.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.86 124.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.554 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.75 -179.47 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.746 0.308 . . . . 0.0 110.896 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -51.61 170.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -69.51 -179.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.644 ' O ' HG22 ' A' ' 114' ' ' THR . . . -152.86 -178.95 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 p -129.94 155.99 45.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 p -69.93 -10.15 57.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.5 p -54.84 -23.45 18.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.58 40.06 1.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -127.53 99.97 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 t30 58.54 43.78 18.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.588 ' CD2' HG21 ' A' ' 114' ' ' THR . 25.7 t80 -99.6 142.0 31.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -130.13 97.11 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.878 HG23 HD11 ' A' ' 34' ' ' ILE . 9.1 p -78.09 -12.98 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.84 -20.42 63.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -81.44 -55.6 4.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.878 HD11 HG23 ' A' ' 31' ' ' VAL . 26.8 pt -55.79 -23.62 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -61.27 130.42 46.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.75 -178.76 16.84 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.429 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.589 ' N ' HE21 ' A' ' 63' ' ' GLN . 42.6 mt-10 -54.32 119.27 4.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.928 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.816 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.4 m95 -104.63 -176.59 3.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -162.84 148.65 12.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.0 m -96.09 99.37 11.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.827 HG21 HD12 ' A' ' 145' ' ' LEU . 10.0 mm -69.54 -69.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.147 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.624 HG12 HG22 ' A' ' 41' ' ' ILE . 24.2 mm -142.13 148.26 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.712 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.5 tp -118.21 126.9 53.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.502 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -131.5 129.85 41.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.031 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.62 145.63 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 6.9 p-10 -68.29 81.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.21 72.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 168' ' ' ILE . 2.6 mmm180 -54.57 -29.25 50.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.66 -6.3 47.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.13 -50.97 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.833 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -93.3 40.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -173.25 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -52.59 121.78 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.788 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 62.79 30.76 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.15 -158.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.454 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -121.51 -6.82 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -125.64 8.48 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.62 58.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -111.7 155.9 22.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -77.43 151.22 34.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 38' ' ' TRP . 35.0 tp -95.79 151.27 19.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.73 -172.66 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.589 HE21 ' N ' ' A' ' 37' ' ' GLU . 8.6 tt0 -82.21 107.93 15.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.816 HD12 ' CD1' ' A' ' 38' ' ' TRP . 6.5 mt -61.46 139.48 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -108.2 102.6 11.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.45 HG22 HG22 ' A' ' 31' ' ' VAL . 83.1 t -66.28 112.93 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.191 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.607 HD11 HG23 ' A' ' 72' ' ' VAL . 38.0 mt -100.84 -168.67 1.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -55.58 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -141.27 10.19 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.51 ' C ' HD23 ' A' ' 71' ' ' LEU . 7.7 m -129.27 -179.96 5.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.526 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -148.29 122.83 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.607 HG23 HD11 ' A' ' 67' ' ' LEU . 97.7 t -87.64 118.38 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.755 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.4 pt? -122.81 135.52 54.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -118.51 152.45 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.755 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 81.5 m-85 -131.55 157.37 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -106.7 120.46 42.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.658 ' CG2' HD23 ' A' ' 59' ' ' LEU . 18.5 p -135.86 147.06 48.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -90.99 118.1 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -110.38 129.75 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 59.28 43.87 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 59.12 27.7 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -139.21 134.28 32.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 83.3 m -48.45 139.83 8.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.24 -179.54 8.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -157.28 138.42 13.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -103.58 178.21 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.9 p -132.35 110.59 10.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.3 mmt -110.5 161.96 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.0 p -150.2 109.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.35 108.39 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -102.92 152.58 21.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -64.06 170.56 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.533 HG21 ' HB3' ' A' ' 100' ' ' SER . 45.3 p -151.51 179.78 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.19 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -56.72 -25.89 55.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -71.56 166.81 21.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.87 102.19 10.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.33 -26.39 24.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.7 ' HA ' HG22 ' A' ' 110' ' ' THR . 13.4 tt0 -86.66 103.74 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.526 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.6 m-85 -83.5 159.07 21.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.533 ' HB3' HG21 ' A' ' 93' ' ' THR . 83.5 p -121.82 116.58 24.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.2 137.41 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 97.8 m -72.64 92.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.98 172.53 6.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -49.37 -26.83 3.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.26 163.35 28.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.566 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -49.69 120.17 4.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.627 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -156.28 168.52 27.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.17 125.29 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.851 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.8 t80 -98.9 130.24 45.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.3 p -136.57 173.92 11.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.448 HD11 ' HZ ' ' A' ' 109' ' ' PHE . 55.7 mt -139.14 89.63 12.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.624 0.726 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -48.76 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.763 2.309 . . . . 0.0 112.301 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.524 ' HE3' HD13 ' A' ' 156' ' ' LEU . 1.0 OUTLIER -111.97 108.89 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.647 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.8 t -112.08 89.53 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.8 52.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -44.06 -33.33 1.42 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -49.47 -43.95 45.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -121.02 -69.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.604 ' CD2' HG23 ' A' ' 149' ' ' ILE . 26.4 p90 -136.57 133.4 36.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 114' ' ' THR . 22.4 tp -91.51 150.61 21.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.439 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.3 mtm -130.47 133.03 45.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -128.21 157.36 41.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.571 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.9 t-160 -140.68 110.52 6.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.851 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.0 tt -124.39 130.03 51.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 123' ' ' HIS . 31.8 mt -116.54 127.21 74.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -119.07 126.63 52.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.42 99.75 8.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -140.66 156.49 46.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t0 61.45 30.59 18.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 69.27 14.02 68.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -137.37 152.49 49.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.2 t -144.86 160.19 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.429 ' CE2' HD23 ' A' ' 135' ' ' LEU . 0.3 OUTLIER -155.8 156.88 35.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -92.62 107.81 19.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 136' ' ' MET . 2.9 tm? -91.84 139.26 30.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.703 ' N ' HD13 ' A' ' 135' ' ' LEU . 13.0 mtt -142.35 109.74 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.712 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -100.62 113.41 4.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.511 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.5 tt -79.9 125.88 30.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.594 ' N ' HD23 ' A' ' 138' ' ' LEU . 13.1 m-85 -125.37 137.0 54.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.34 154.52 20.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -51.08 -30.33 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.0 OUTLIER -110.32 162.71 19.41 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.678 0.752 . . . . 0.0 110.874 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.6 Cg_endo -69.75 -5.65 16.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.385 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.7 139.16 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.827 HD12 HG21 ' A' ' 41' ' ' ILE . 16.7 mt -108.86 152.39 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.7 t -73.96 177.63 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.07 -7.35 58.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.07 -30.94 17.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 119' ' ' PHE . 88.5 mt -90.52 -44.71 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -53.79 -29.98 42.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.57 -30.09 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -60.51 -42.88 97.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.488 ' CD2' HD12 ' A' ' 138' ' ' LEU . 12.0 t80 -65.49 -43.06 91.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.63 -25.53 53.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -61.53 -55.61 29.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.524 HD13 ' HE3' ' A' ' 113' ' ' LYS . 12.6 tp -64.29 -29.35 70.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 79.7 m -57.94 -66.58 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -56.71 -26.09 55.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -69.05 -35.54 76.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -86.75 -4.34 59.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 110.83 -6.57 29.42 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 56.0 mt -82.25 98.15 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.384 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.24 148.26 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.699 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.7 OUTLIER -59.69 -23.53 63.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.667 ' HB2' HD12 ' A' ' 163' ' ' LEU . 28.5 mm-40 -74.9 -26.11 59.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.554 ' O ' HD12 ' A' ' 168' ' ' ILE . 26.8 m-20 -72.46 -10.11 59.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.699 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.8 mp -70.87 109.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.833 HD13 HG13 ' A' ' 51' ' ' ILE . 1.3 mp -95.77 115.92 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.128 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.579 ' HA ' HD12 ' A' ' 42' ' ' ILE . 7.3 p-10 -92.62 123.31 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.403 ' HB2' ' HB3' ' A' ' 173' ' ' ALA . 0.9 OUTLIER -132.17 25.92 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 92.8 p -55.96 -25.79 45.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -94.28 -17.07 23.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 170' ' ' LEU . . . -102.22 110.35 22.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.056 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -139.16 28.3 2.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -118.48 -178.15 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 1.4 m -70.39 -61.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -162.17 178.77 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -131.93 152.47 51.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -75.7 169.85 17.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -125.54 178.45 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.844 0.354 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.43 -164.07 34.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 p -139.87 179.91 6.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.7 p -107.3 -174.44 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -141.19 172.56 12.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -130.31 -172.44 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -136.87 -175.11 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -133.0 -173.2 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -146.12 -173.61 4.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.418 ' C ' HD12 ' A' ' 16' ' ' ILE . 20.6 p80 -59.01 -177.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.493 HG22 ' CG ' ' A' ' 17' ' ' GLU . 4.3 mp -129.79 -78.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' CG ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -177.39 -172.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.14 -114.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.425 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.81 134.43 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.879 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -139.63 171.4 14.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.32 178.06 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.625 ' O ' HG22 ' A' ' 114' ' ' THR . . . -166.34 -179.69 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -130.68 159.47 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -8.56 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 p -55.89 -21.68 21.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.86 40.15 1.34 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.563 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -126.41 99.72 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.6 t30 51.57 49.16 21.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.487 ' CD2' HG21 ' A' ' 114' ' ' THR . 28.3 t80 -100.08 142.22 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -130.29 92.44 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 HD11 ' A' ' 34' ' ' ILE . 9.6 p -76.22 -14.0 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.71 -7.07 52.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -90.47 -55.62 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 31' ' ' VAL . 7.3 pt -53.67 -27.29 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' HB2' HG13 ' A' ' 66' ' ' VAL . 7.0 t-20 -53.1 151.8 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.35 179.86 23.07 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -50.79 119.29 3.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.751 ' CD1' HD12 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -106.88 -176.84 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -162.9 148.46 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -100.08 99.83 10.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.629 HG21 HD12 ' A' ' 145' ' ' LEU . 6.8 mm -70.09 -68.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.661 HG23 ' HA ' ' A' ' 169' ' ' ASP . 21.2 mm -141.89 152.13 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.637 HD12 ' HA2' ' A' ' 137' ' ' GLY . 2.8 tp -117.67 145.27 44.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.58 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -149.62 129.79 13.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.481 ' OG ' HD12 ' A' ' 51' ' ' ILE . 25.5 p -170.39 148.89 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 13.0 t70 -68.08 81.46 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.578 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.13 75.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.561 ' HD2' HD11 ' A' ' 168' ' ' ILE . 7.7 mmm-85 -55.19 -28.05 50.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -76.26 -6.03 49.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 -45.66 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.584 ' CG1' HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -102.93 45.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -172.09 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -51.45 -46.31 63.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -106.81 52.36 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.85 176.01 37.4 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.569 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -116.28 -19.5 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -93.88 -15.9 24.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -77.13 62.84 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.626 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -113.27 155.77 24.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -77.56 145.08 37.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 38' ' ' TRP . 27.3 tp -90.26 150.44 21.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.66 -171.53 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -81.14 107.77 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.751 HD12 ' CD1' ' A' ' 38' ' ' TRP . 13.1 mt -64.72 140.87 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.95 99.92 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 35' ' ' ASN . 6.8 m -67.54 110.59 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD11 HG23 ' A' ' 72' ' ' VAL . 27.1 mt -94.4 -167.76 1.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -53.94 -53.98 45.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.99 -19.38 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.474 ' C ' HD23 ' A' ' 71' ' ' LEU . 67.6 m -107.86 -179.31 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.583 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -147.63 134.83 20.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.492 HG23 HD11 ' A' ' 67' ' ' LEU . 48.2 t -96.44 116.66 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.745 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.4 pt? -118.75 135.84 54.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -117.89 153.24 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.745 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 81.1 m-85 -131.32 173.08 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -121.87 119.62 32.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.808 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.626 ' CG2' HD23 ' A' ' 59' ' ' LEU . 41.1 p -143.95 144.55 31.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.19 161.36 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -149.11 121.35 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.05 47.23 3.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 59.01 29.63 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -131.1 130.24 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.2 m -63.15 144.07 57.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.28 -179.73 7.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -160.36 140.9 11.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.471 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -103.31 179.38 4.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -141.18 104.61 4.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.471 ' CE ' HD12 ' A' ' 86' ' ' LEU . 20.3 mmt -101.78 163.45 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 90.0 t -146.73 125.01 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.528 ' CA ' HG12 ' A' ' 101' ' ' VAL . . . -94.82 115.9 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -105.63 144.51 32.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -62.39 159.64 14.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 74.3 p -140.47 179.16 6.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -78.15 -4.07 45.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -72.59 -173.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.68 99.59 8.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.51 24.71 68.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.505 ' HA ' HG22 ' A' ' 110' ' ' THR . 1.1 tp10 -119.03 100.76 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.583 ' CE2' HD21 ' A' ' 71' ' ' LEU . 5.7 m-85 -79.62 170.06 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.5 m -141.89 119.47 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.528 HG12 ' CA ' ' A' ' 90' ' ' ALA . 30.4 m -102.1 170.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.7 m -100.2 91.08 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.45 172.61 6.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.43 -26.9 3.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.79 165.45 27.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -50.0 122.74 7.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.799 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.412 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -154.79 169.23 24.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.7 134.06 28.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.875 ' HB2' HD12 ' A' ' 124' ' ' LEU . 4.7 t80 -104.53 138.77 40.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 98' ' ' GLU . 17.4 p -146.08 175.1 10.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 58.3 mt -138.93 89.06 13.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.595 0.712 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.83 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.297 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.26 108.63 16.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 22' ' ' ALA . 1.8 t -108.33 89.18 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.68 50.89 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -45.61 -34.05 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -51.57 -39.26 57.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -121.41 -69.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.625 ' CD2' HG23 ' A' ' 149' ' ' ILE . 24.6 p90 -138.38 135.73 35.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.718 HD13 ' N ' ' A' ' 121' ' ' MET . 3.4 tm? -91.31 142.13 28.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.718 ' N ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -130.49 109.39 10.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.444 ' HB1' ' HE1' ' A' ' 109' ' ' PHE . . . -109.33 143.56 38.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.532 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.8 t-160 -120.84 118.9 31.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.875 HD12 ' HB2' ' A' ' 109' ' ' PHE . 3.7 tt -132.21 126.7 34.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' A' ' 123' ' ' HIS . 20.5 mt -109.4 138.7 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.43 122.71 36.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -110.78 105.86 14.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -149.8 157.46 43.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 42.4 t0 62.98 31.61 16.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.35 13.01 64.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -140.55 153.87 46.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.0 t -143.06 159.96 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -152.94 156.57 39.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -94.12 109.43 21.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.676 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -98.17 138.6 35.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.676 ' N ' HD13 ' A' ' 135' ' ' LEU . 8.0 mtp -144.55 112.89 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.637 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -100.6 113.34 4.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.449 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' A' ' 153' ' ' PHE . 9.1 tp -78.92 125.9 29.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.949 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.642 ' HD2' HD12 ' A' ' 120' ' ' LEU . 5.3 m-85 -121.03 157.81 29.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -151.08 154.62 25.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -51.3 -28.31 11.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -112.11 162.53 20.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 0.0 110.936 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.3 Cg_endo -69.81 -6.08 17.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.0 141.83 26.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.642 HD22 HG21 ' A' ' 149' ' ' ILE . 20.7 mt -108.85 142.2 39.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.1 t -66.16 -180.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.7 m -80.52 -7.88 59.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.06 -31.33 17.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.642 HG21 HD22 ' A' ' 145' ' ' LEU . 92.2 mt -90.87 -44.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.104 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -53.17 -31.55 43.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.73 -31.73 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -63.06 -21.55 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 13.5 t80 -77.79 -46.06 22.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.423 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -55.41 -31.17 61.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.125 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.32 -44.62 96.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.65 -36.08 67.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 84.4 m -54.21 -69.21 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.06 -35.75 64.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.04 -33.77 76.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.63 -3.51 58.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 102.16 11.15 37.48 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 42.8 mt -103.69 105.2 17.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.453 HD12 ' CG ' ' A' ' 165' ' ' GLU . 0.0 OUTLIER -45.44 149.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.552 ' HA ' HD13 ' A' ' 167' ' ' ILE . 16.7 tpt85 -69.65 -33.71 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.453 ' CG ' HD12 ' A' ' 163' ' ' LEU . 14.2 pt-20 -68.01 -11.65 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.478 ' O ' HD12 ' A' ' 168' ' ' ILE . 2.0 m-20 -86.51 -7.12 58.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.58 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -71.83 113.5 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.584 HD13 ' CG1' ' A' ' 51' ' ' ILE . 1.4 mp -101.08 113.96 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.661 ' HA ' HG23 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -77.48 118.24 19.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.555 ' O ' HD12 ' A' ' 170' ' ' LEU . 1.6 pp -111.03 20.94 16.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 6.8 p -61.24 -27.35 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -96.65 23.21 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -146.8 126.49 13.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -140.75 -74.15 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -73.28 -179.83 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 59.6 m -52.01 136.27 29.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 40.2 mt -150.39 173.66 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -171.85 137.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.77 136.58 32.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.9 -21.37 9.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.777 0.322 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.77 169.16 17.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.5 t -99.8 151.98 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.863 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 p -147.55 153.8 39.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -175.49 133.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.86 23.53 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 51.77 55.76 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -162.99 161.53 25.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -155.64 151.24 27.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -158.83 177.73 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.1 mm -117.72 150.27 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -121.11 -177.57 3.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.18 -149.24 0.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -113.62 132.8 55.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -140.12 169.86 16.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -179.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.66 ' O ' HG22 ' A' ' 114' ' ' THR . . . -153.79 -179.48 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 p -132.01 156.49 46.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.0 p -68.22 -11.81 59.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.7 p -56.23 -21.66 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 40.04 1.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.417 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 18.1 ttp85 -124.57 100.06 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.5 t30 54.59 46.7 24.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.504 ' CD2' HG21 ' A' ' 114' ' ' THR . 23.4 t80 -100.0 140.52 34.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -129.91 95.73 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.935 HG23 HD11 ' A' ' 34' ' ' ILE . 9.2 p -74.27 -15.77 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.61 -30.88 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.87 -56.02 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.935 HD11 HG23 ' A' ' 31' ' ' VAL . 46.2 pt -56.29 -21.74 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -62.71 126.7 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.61 -171.24 22.05 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.459 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -60.86 119.4 8.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.838 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.5 m95 -106.82 178.85 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -162.7 148.16 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.35 99.09 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.645 HG21 HD12 ' A' ' 145' ' ' LEU . 9.7 mm -65.33 -70.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.64 HG12 HG22 ' A' ' 41' ' ' ILE . 23.3 mm -142.93 146.63 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.556 HD23 HG22 ' A' ' 51' ' ' ILE . 1.1 tp -117.28 126.15 52.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.526 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -132.05 129.19 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.517 ' OG ' HD12 ' A' ' 51' ' ' ILE . 13.6 p -171.34 151.18 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.3 t70 -68.55 81.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.626 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.94 75.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.69 ' HD2' HD11 ' A' ' 168' ' ' ILE . 9.9 mmm-85 -55.02 -28.83 55.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.6 -7.11 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -100.68 -45.43 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -104.61 45.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -172.54 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -49.45 -52.28 30.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -115.09 57.18 0.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -86.15 -167.96 44.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.559 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -116.89 -13.85 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -109.65 2.26 20.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -82.93 4.9 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.635 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.1 pp -50.04 150.54 2.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.07 131.64 34.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' A' ' 38' ' ' TRP . 45.7 tp -74.22 149.33 40.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.33 -170.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -80.25 107.36 12.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.838 HD12 ' CD1' ' A' ' 38' ' ' TRP . 13.1 mt -62.0 132.81 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.449 ' HB3' ' HB ' ' A' ' 72' ' ' VAL . 48.2 t60 -106.05 99.16 8.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.493 HG22 HG22 ' A' ' 31' ' ' VAL . 75.7 t -54.23 139.73 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.72 HD11 ' CG2' ' A' ' 72' ' ' VAL . 18.3 mt -129.83 -167.98 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.64 -55.4 19.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.59 9.47 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.428 ' HB2' HD12 ' A' ' 67' ' ' LEU . 5.8 m -131.82 -179.59 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.482 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -144.57 121.6 11.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.72 ' CG2' HD11 ' A' ' 67' ' ' LEU . 18.8 t -80.63 111.54 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.592 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.3 pt? -122.23 133.47 54.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -112.85 151.56 30.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.573 ' CB ' HD22 ' A' ' 59' ' ' LEU . 18.4 m-85 -121.11 167.51 12.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -120.82 99.89 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 59' ' ' LEU . 75.7 p -114.01 142.4 46.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 m -106.86 161.44 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -147.36 117.51 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 61.72 48.81 5.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 62.18 21.33 12.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -117.14 130.23 56.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 18.7 m -69.27 138.85 54.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.49 179.81 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -160.14 148.16 16.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.476 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -111.19 179.25 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.8 p -122.15 113.96 20.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.418 ' HE3' HD12 ' A' ' 86' ' ' LEU . 16.1 mmt -118.92 159.35 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.9 t -149.86 102.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.57 114.68 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.15 179.78 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.3 172.07 14.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 100' ' ' SER . 17.8 p -144.91 179.47 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -57.7 -24.89 59.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 175.24 9.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.81 107.11 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 105.19 -31.43 8.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.66 ' HA ' HG22 ' A' ' 110' ' ' THR . 3.3 tt0 -80.87 109.95 15.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.806 0.336 . . . . 0.0 110.835 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.482 ' CE2' HD21 ' A' ' 71' ' ' LEU . 6.7 m-85 -89.91 160.95 16.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.432 ' HB3' HG22 ' A' ' 93' ' ' THR . 1.1 t -123.95 127.56 48.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 p -121.06 139.97 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.1 m -74.12 92.44 2.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.61 172.15 6.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -50.38 -26.62 5.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -147.96 169.05 28.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -50.02 118.66 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.377 . . . . 0.0 110.927 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.41 167.4 30.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.54 130.38 13.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.669 ' CB ' HD12 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -107.88 142.94 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.66 HG22 ' HA ' ' A' ' 98' ' ' GLU . 8.3 p -142.72 177.41 8.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 121' ' ' MET . 37.5 mt -137.21 90.84 15.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.633 0.73 . . . . 0.0 111.176 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.75 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' HZ3' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -115.35 108.09 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.2 t -105.96 88.08 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.75 51.54 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -44.82 -32.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -51.43 -42.59 61.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -121.14 -70.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.509 ' CD2' HG23 ' A' ' 149' ' ' ILE . 52.6 p90 -136.62 132.16 34.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.9 tp -94.11 147.81 22.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.52 ' O ' HG23 ' A' ' 111' ' ' ILE . 2.8 mtt -125.36 147.09 49.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.93 133.96 24.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -115.87 115.04 25.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.669 HD12 ' CB ' ' A' ' 109' ' ' PHE . 3.7 tt -125.97 151.53 46.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mt -140.96 133.22 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -123.47 128.18 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -116.23 99.6 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -138.45 156.27 47.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.0 t0 62.67 24.22 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.15 1.69 80.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -125.97 155.07 41.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.4 t -144.16 159.49 42.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -150.48 152.37 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -90.2 108.51 19.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.637 HD13 ' N ' ' A' ' 136' ' ' MET . 3.3 tm? -94.86 139.51 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.637 ' N ' HD13 ' A' ' 135' ' ' LEU . 6.0 mtt -138.35 113.79 9.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.977 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.482 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -104.06 109.81 3.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.443 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.94 126.61 31.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.77 0.319 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.605 ' N ' HD23 ' A' ' 138' ' ' LEU . 13.4 m-85 -121.85 148.03 45.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.18 153.32 25.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -51.44 -27.99 11.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.704 0.288 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.409 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -112.17 162.29 22.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.69 0.757 . . . . 0.0 110.862 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.5 Cg_endo -69.73 -6.03 17.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.284 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -150.17 139.29 21.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.645 HD12 HG21 ' A' ' 41' ' ' ILE . 24.0 mt -108.87 144.72 36.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 178.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.8 m -79.55 -4.59 52.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.94 -33.62 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.627 ' CG2' HD13 ' A' ' 145' ' ' LEU . 74.0 mt -90.57 -44.54 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -28.0 39.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.86 -30.03 58.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -62.95 -35.01 78.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 16.6 t80 -73.01 -39.61 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -56.63 -23.78 43.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -66.88 -51.94 49.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.438 HD22 ' HZ3' ' A' ' 113' ' ' LYS . 11.6 tp -62.39 -24.66 67.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 62.9 m -66.7 -67.57 0.44 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -55.59 -25.55 39.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.71 -26.1 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -94.19 0.68 55.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 102.39 0.86 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 31.7 mt -95.32 101.3 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.36 . . . . 0.0 111.199 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.44 148.25 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.69 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.1 OUTLIER -61.52 -22.2 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.658 ' HB2' HD12 ' A' ' 163' ' ' LEU . 13.6 mm-40 -74.45 -22.51 59.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.549 ' O ' HD12 ' A' ' 168' ' ' ILE . 38.3 m-20 -79.3 -4.63 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.69 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -73.55 109.6 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.69 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.6 mp -102.79 130.09 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 42' ' ' ILE . 6.9 m-20 -84.89 136.82 33.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.628 HD12 ' ND2' ' A' ' 174' ' ' ASN . 4.4 mm? -110.37 -18.71 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 63.5 p -51.64 -30.46 21.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -114.65 30.2 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -141.05 -179.45 6.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.628 ' ND2' HD12 ' A' ' 170' ' ' LEU . 18.3 m-20 61.49 99.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . 0.404 ' HD2' HD21 ' A' ' 177' ' ' LEU . 21.3 ttm180 -158.12 28.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 11.4 m 53.16 54.83 9.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.404 HD21 ' HD2' ' A' ' 175' ' ' ARG . 2.7 pp -166.46 170.16 13.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -142.9 135.03 27.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -90.11 170.2 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 66.51 12.6 8.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.905 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.2 ttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.46 114.71 3.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 t -126.76 152.74 46.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 p -172.86 150.7 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.823 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -122.78 119.3 30.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -119.61 -175.34 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -107.54 -172.62 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -126.23 140.59 52.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -163.62 170.86 16.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.602 ' O ' HD13 ' A' ' 16' ' ' ILE . 88.3 m-70 -95.64 145.59 25.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.602 HD13 ' O ' ' A' ' 15' ' ' HIS . 31.0 mm -132.63 147.99 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -98.79 -173.39 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.41 166.15 37.84 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.437 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.78 132.17 47.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.882 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -135.68 170.07 16.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -69.72 179.94 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.54 ' O ' HG22 ' A' ' 114' ' ' THR . . . -167.49 -179.44 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -136.08 160.26 39.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.06 -8.06 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 p -59.08 -19.3 43.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.47 40.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -129.13 99.94 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.02 43.41 24.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD1' HG21 ' A' ' 114' ' ' THR . 31.1 t80 -94.82 137.53 33.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -129.94 93.52 3.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.782 HG23 HD11 ' A' ' 34' ' ' ILE . 7.9 p -74.87 -11.97 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -73.16 -12.21 60.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -89.3 -53.16 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.782 HD11 HG23 ' A' ' 31' ' ' VAL . 21.2 pt -56.49 -22.67 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -60.67 126.71 28.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.84 179.63 16.36 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.607 ' N ' HE21 ' A' ' 63' ' ' GLN . 40.0 mt-10 -53.98 119.59 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.79 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.8 m95 -105.47 -178.78 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -163.0 144.7 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.468 HG22 HD21 ' A' ' 170' ' ' LEU . 2.8 m -93.59 99.74 12.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.735 HG21 HD12 ' A' ' 145' ' ' LEU . 8.3 mm -68.32 -68.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 169' ' ' ASP . 22.5 mm -140.31 150.14 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.662 HD12 ' HA2' ' A' ' 137' ' ' GLY . 4.7 tp -120.79 123.57 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -129.2 130.54 46.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.2 t -170.33 150.14 3.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.9 t0 -70.85 81.27 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.78 65.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.641 ' CD ' HD11 ' A' ' 168' ' ' ILE . 2.7 mmm180 -52.69 -33.75 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.58 -12.61 54.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.551 ' NZ ' HD23 ' A' ' 135' ' ' LEU . 3.5 ttpp -101.05 -34.03 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.734 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -108.29 42.44 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.13 -170.69 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -45.88 -49.65 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -107.55 47.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.42 -179.79 47.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -118.64 -20.91 8.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.837 0.351 . . . . 0.0 110.809 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -103.8 -0.42 29.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -85.96 50.83 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -104.67 156.1 18.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.91 160.43 28.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.7 tp -103.6 151.39 22.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -171.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.607 HE21 ' N ' ' A' ' 37' ' ' GLU . 9.5 tt0 -81.13 107.47 13.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.79 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.7 mt -63.58 139.94 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.08 99.84 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.26 101.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.622 HD11 HG23 ' A' ' 72' ' ' VAL . 20.8 mt -85.14 -166.39 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -54.96 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -131.29 -20.19 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m -108.35 -179.19 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.797 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -143.1 138.01 29.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.622 HG23 HD11 ' A' ' 67' ' ' LEU . 61.4 t -97.79 115.23 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.597 ' H ' HD23 ' A' ' 73' ' ' LEU . 2.5 pt? -123.27 133.97 54.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -118.45 151.57 37.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.757 ' HB3' HD22 ' A' ' 59' ' ' LEU . 93.5 m-85 -129.87 -173.97 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.958 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -149.55 106.04 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.707 ' CG2' HD23 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -132.85 135.55 45.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 83' ' ' CYS . 2.9 m -82.46 161.42 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -149.06 129.78 14.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 t0 62.89 43.95 6.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 59.04 26.98 15.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -128.68 126.42 40.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.552 ' HA ' HG12 ' A' ' 78' ' ' VAL . 41.0 t -64.9 127.91 33.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.7 t -153.99 166.87 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -135.52 153.77 51.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.691 ' H ' HD23 ' A' ' 86' ' ' LEU . 2.6 pt? -124.17 -179.78 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.8 p -140.37 135.11 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.438 ' HE3' ' CD1' ' A' ' 103' ' ' TYR . 7.0 mmt -135.42 165.75 24.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.9 p -150.41 112.54 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.82 118.86 21.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.39 155.11 20.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -72.04 165.07 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.522 HG21 ' HB3' ' A' ' 100' ' ' SER . 53.3 p -151.0 -179.9 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -78.43 -12.32 60.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -58.73 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.59 99.64 8.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.91 15.14 59.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.71 ' HA ' HG22 ' A' ' 110' ' ' THR . 4.1 tt0 -112.22 108.34 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.543 ' CE2' HD21 ' A' ' 71' ' ' LEU . 4.8 m-85 -80.21 162.68 24.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.522 ' HB3' HG21 ' A' ' 93' ' ' THR . 90.4 p -121.4 117.19 26.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 13.3 p -111.66 131.27 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.3 m -69.76 92.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.438 ' CD1' ' HE3' ' A' ' 88' ' ' MET . 0.7 OUTLIER -107.06 172.69 6.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.8 -27.56 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -143.45 161.71 27.67 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -49.54 119.57 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.662 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -156.67 169.97 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.63 126.27 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.84 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.4 t80 -99.09 128.25 45.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.71 HG22 ' HA ' ' A' ' 98' ' ' GLU . 10.9 p -133.16 174.86 9.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.169 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.54 HD11 ' HZ ' ' A' ' 109' ' ' PHE . 40.7 mt -139.0 89.9 12.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 54.1 Cg_endo -69.65 -48.81 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.556 ' HD3' HD22 ' A' ' 156' ' ' LEU . 1.6 mptm? -112.55 107.97 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.625 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.7 t -110.51 89.57 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.72 51.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.78 -32.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.978 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -47.47 -45.66 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -122.32 -69.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.585 ' CD2' HG23 ' A' ' 149' ' ' ILE . 25.1 p90 -133.59 133.6 42.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 114' ' ' THR . 23.2 tp -92.62 150.69 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.638 ' CE ' HD23 ' A' ' 156' ' ' LEU . 7.3 mmm -132.87 136.46 46.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -133.03 163.6 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.563 ' CE1' HD11 ' A' ' 125' ' ' ILE . 13.6 t-160 -143.27 114.29 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.84 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.4 tt -125.16 136.58 53.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 123' ' ' HIS . 21.6 mt -125.15 130.4 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.037 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -121.1 128.28 52.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -114.09 99.54 7.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.93 157.02 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.68 24.22 14.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.22 1.15 79.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.558 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -126.6 155.71 42.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.4 t -140.94 158.49 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.198 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -147.96 153.08 38.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -93.29 109.98 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.551 HD23 ' NZ ' ' A' ' 50' ' ' LYS . 3.1 tm? -98.83 135.16 40.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.47 ' H ' HD22 ' A' ' 135' ' ' LEU . 3.4 mtp -140.21 112.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.662 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -102.5 117.22 5.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 139' ' ' TYR . 3.5 tp -85.27 126.92 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.652 ' N ' HD12 ' A' ' 138' ' ' LEU . 22.8 m-85 -119.65 153.82 34.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -140.84 149.3 20.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -52.83 -24.08 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.0 OUTLIER -116.02 163.36 21.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.749 . . . . 0.0 110.924 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.2 Cg_endo -69.79 -3.68 12.51 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.256 . . . . 0.0 112.362 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -150.41 139.17 20.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.735 HD12 HG21 ' A' ' 41' ' ' ILE . 17.2 mt -109.38 148.13 31.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.8 t -74.42 -179.85 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.0 m -81.13 -5.96 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -30.76 17.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.585 HG23 ' CD2' ' A' ' 119' ' ' PHE . 92.5 mt -90.84 -44.34 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -53.31 -31.17 42.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -71.74 -31.42 66.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 44.4 mtp85 -64.73 -19.83 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.597 ' HB2' HD22 ' A' ' 138' ' ' LEU . 12.5 t80 -82.93 -43.67 16.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.31 -25.29 33.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -63.04 -59.74 4.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.638 HD23 ' CE ' ' A' ' 121' ' ' MET . 16.7 tp -61.57 -28.58 69.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 91.4 m -58.2 -68.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.42 -25.94 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -73.16 -30.48 63.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -90.5 6.86 41.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.49 22.63 31.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.537 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 19.1 mt -116.62 102.83 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 0.0 111.043 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.07 154.31 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.743 ' HA ' HD13 ' A' ' 167' ' ' ILE . 19.2 tpt85 -68.06 -23.54 64.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.588 ' HB2' HD12 ' A' ' 163' ' ' LEU . 4.7 mm-40 -71.65 -18.53 62.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.512 ' O ' HD12 ' A' ' 168' ' ' ILE . 28.7 m-20 -82.75 -9.57 59.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.743 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -70.77 109.79 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.734 HD13 HG13 ' A' ' 51' ' ' ILE . 1.3 mp -101.13 112.95 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.621 ' HA ' HD12 ' A' ' 42' ' ' ILE . 8.2 p-10 -78.13 121.69 24.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.468 HD21 HG22 ' A' ' 40' ' ' THR . 1.3 pp -115.57 20.77 14.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.04 -26.82 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -98.91 25.35 6.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -149.68 123.09 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -142.21 -49.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -76.35 165.79 24.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 2.0 m -61.05 171.2 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 26.1 mt -98.77 175.92 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -127.68 152.0 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.966 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.84 168.97 11.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -118.18 179.38 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.9 mmt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.8 0.333 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.17 -175.07 21.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.422 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -126.15 170.43 11.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 0.0 110.906 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -119.89 -56.03 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -114.05 35.24 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -154.16 -178.29 7.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 63.37 55.55 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.3 p80 -91.45 158.41 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -51.95 156.04 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -127.34 -87.08 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 mm -151.15 145.76 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.53 -67.51 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.49 -178.67 39.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -82.86 116.47 22.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -139.96 170.11 16.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.71 -179.9 1.94 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 114' ' ' THR . . . -160.38 -179.33 7.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -133.87 155.18 50.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 p -69.41 -11.11 60.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.787 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.8 p -54.58 -24.29 20.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.55 40.16 1.38 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -129.03 99.81 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t30 58.84 43.99 17.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CD2' HG21 ' A' ' 114' ' ' THR . 31.8 t80 -99.41 142.37 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -128.99 102.9 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.875 HG23 HD11 ' A' ' 34' ' ' ILE . 8.3 p -84.61 -12.21 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.48 -21.61 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -80.49 -55.11 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.875 HD11 HG23 ' A' ' 31' ' ' VAL . 22.2 pt -56.67 -22.48 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -61.88 125.45 23.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.72 179.66 16.37 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.431 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -51.43 119.64 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.814 ' CD1' HD12 ' A' ' 64' ' ' ILE . 2.1 m95 -106.13 -178.58 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -162.57 149.26 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.58 99.71 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.647 HG21 HD12 ' A' ' 145' ' ' LEU . 6.7 mm -67.84 -68.5 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.575 HD13 ' O ' ' A' ' 41' ' ' ILE . 26.4 mm -139.07 146.09 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.519 HD12 ' HA2' ' A' ' 137' ' ' GLY . 4.0 tp -116.6 120.31 38.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -128.06 132.77 49.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.639 ' HB2' HD22 ' A' ' 135' ' ' LEU . 40.1 t -167.19 150.62 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 4.1 p-10 -69.52 81.5 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.68 73.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.773 ' HD2' HD11 ' A' ' 168' ' ' ILE . 13.9 mmm-85 -56.3 -26.68 52.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.61 -3.33 43.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.01 -50.68 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.847 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -94.5 40.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.97 -170.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.44 119.73 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 60.75 38.59 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.824 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.47 -160.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -118.9 -28.77 5.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -100.61 -11.13 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.689 ' CG ' HD11 ' A' ' 170' ' ' LEU . 63.4 ttp85 -74.79 71.48 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.644 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -122.78 156.18 35.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.31 150.67 29.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.689 HD23 ' HB3' ' A' ' 38' ' ' TRP . 29.3 tp -95.96 150.25 20.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.61 -172.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.959 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -81.62 108.18 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.814 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.5 mt -62.22 139.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 100.84 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 31' ' ' VAL . 90.2 t -65.18 106.09 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.73 HD11 HG23 ' A' ' 72' ' ' VAL . 29.6 mt -91.15 -167.97 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.89 -53.47 52.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -133.54 -17.13 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.1 m -109.04 -179.64 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -144.66 124.78 13.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.73 HG23 HD11 ' A' ' 67' ' ' LEU . 57.4 t -86.04 118.02 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.713 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.1 pt? -123.58 137.06 54.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -119.44 153.02 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.713 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 82.4 m-85 -130.75 169.1 16.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -118.57 114.82 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.822 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.644 ' CG2' HD23 ' A' ' 59' ' ' LEU . 30.1 p -131.92 138.34 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 83' ' ' CYS . 2.6 m -96.16 160.95 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -149.82 118.3 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.48 47.54 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 59.97 30.99 20.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -132.84 129.29 38.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.401 ' HA ' HG12 ' A' ' 78' ' ' VAL . 75.9 m -64.7 142.55 58.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.26 -179.82 6.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.29 147.9 24.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 86' ' ' LEU . 1.2 pt? -110.79 173.18 6.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -122.18 131.4 53.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -133.62 166.84 21.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 89' ' ' VAL . 2.6 p -150.49 103.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.97 103.45 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.45 170.68 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -85.63 166.14 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.448 HG21 ' HB3' ' A' ' 100' ' ' SER . 64.5 p -150.42 166.6 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -18.02 58.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.811 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -58.32 -179.19 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.78 109.8 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 57.02 30.88 60.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.64 ' HA ' HG22 ' A' ' 110' ' ' THR . 7.8 tt0 -126.08 112.12 15.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.643 ' CE2' HD21 ' A' ' 71' ' ' LEU . 27.3 m-85 -87.18 156.41 19.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.448 ' HB3' HG21 ' A' ' 93' ' ' THR . 45.9 p -115.4 117.8 31.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.9 p -112.81 134.56 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.0 m -71.44 92.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -106.83 172.01 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -49.58 -26.77 3.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.61 163.67 28.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -49.82 117.3 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.676 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -153.28 170.29 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.73 123.91 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.829 ' HB2' HD12 ' A' ' 124' ' ' LEU . 0.8 OUTLIER -99.56 128.98 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 98' ' ' GLU . 5.0 p -134.07 176.37 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 121' ' ' MET . 24.6 mt -137.23 90.47 15.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.79 -48.26 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.78 2.32 . . . . 0.0 112.323 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.03 108.34 17.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.643 ' HA ' HD12 ' A' ' 120' ' ' LEU . 1.7 t -110.89 89.59 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.54 52.95 0.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.69 -32.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -50.04 -43.82 51.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -120.86 -69.56 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.589 ' CD2' HG23 ' A' ' 149' ' ' ILE . 19.1 p90 -137.12 133.57 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 114' ' ' THR . 20.4 tp -91.69 149.15 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.496 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.1 mtm -131.77 138.01 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.67 154.7 49.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.457 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.8 t-160 -134.38 117.42 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.829 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.4 tt -126.38 151.97 46.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' A' ' 123' ' ' HIS . 34.5 mt -141.66 127.14 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -119.73 125.35 48.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -111.03 99.87 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -138.51 157.04 46.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.19 29.02 18.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.09 7.16 66.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.554 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -132.11 152.76 51.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.5 158.33 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -148.36 151.47 35.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -93.08 106.48 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -92.88 139.93 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.684 ' N ' HD13 ' A' ' 135' ' ' LEU . 15.1 ttm -140.2 116.1 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.519 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -109.8 112.38 3.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.677 HD21 HD12 ' A' ' 145' ' ' LEU . 12.5 tp -80.25 140.05 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.518 ' H ' HD12 ' A' ' 138' ' ' LEU . 17.6 m-85 -133.97 156.34 48.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.66 153.82 25.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -53.67 -26.6 23.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.409 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.9 OUTLIER -107.78 162.86 18.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.754 0.788 . . . . 0.0 110.816 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.1 Cg_endo -69.72 -6.6 18.96 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -152.86 149.71 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.677 HD12 HD21 ' A' ' 138' ' ' LEU . 33.3 mt -113.27 149.68 33.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.8 t -74.79 -179.79 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.3 m -78.68 -5.64 53.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.33 -33.33 16.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.589 HG23 ' CD2' ' A' ' 119' ' ' PHE . 89.8 mt -90.86 -44.77 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -31.3 43.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -70.81 -31.5 68.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -66.16 -21.47 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -80.72 -47.72 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.0 -25.42 29.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -57.23 -56.57 20.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.65 HD23 ' SD ' ' A' ' 136' ' ' MET . 13.6 tp -66.84 -26.34 66.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 86.3 m -65.19 -68.64 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -58.47 -25.31 62.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.32 -23.65 60.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -100.52 10.1 41.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.793 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 100.03 -16.37 58.39 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 43.2 mt -77.2 92.11 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.677 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.11 169.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.822 ' HA ' HD13 ' A' ' 167' ' ' ILE . 0.0 OUTLIER -66.03 -36.54 83.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.677 ' HB2' HD12 ' A' ' 163' ' ' LEU . 18.4 mm-40 -60.88 -18.38 55.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -83.31 -12.51 56.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.822 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.9 mp -78.27 109.58 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.847 HD13 HG13 ' A' ' 51' ' ' ILE . 1.9 mp -102.37 126.13 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.545 ' HA ' HD12 ' A' ' 42' ' ' ILE . 9.4 m-20 -81.13 125.31 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.689 HD11 ' CG ' ' A' ' 58' ' ' ARG . 4.2 mm? -96.89 -19.77 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 58.5 p -54.6 -26.98 35.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -108.05 29.15 7.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -157.2 119.13 3.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -178.82 -171.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 63.31 39.29 9.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 39.3 m 51.85 30.19 6.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 93.5 mt -144.76 167.35 22.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -166.84 123.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -51.97 158.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.071 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -110.04 -16.81 13.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.0 mtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.872 0.367 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.46 178.39 47.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -139.97 -179.98 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.7 p -149.33 171.62 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -152.09 178.5 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -142.24 179.39 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -157.92 163.25 38.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -174.17 159.48 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.487 ' NE2' HD11 ' A' ' 16' ' ' ILE . 17.1 t60 -175.19 164.42 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.582 ' O ' HD13 ' A' ' 16' ' ' ILE . 67.7 m-70 -154.85 129.51 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 15' ' ' HIS . 38.3 mm -137.44 146.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -116.55 -36.18 4.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.22 112.24 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.0 -179.6 3.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.728 0.299 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -51.67 170.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.86 179.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.708 ' O ' HG22 ' A' ' 114' ' ' THR . . . -145.33 -178.42 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 p -129.37 163.55 25.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 p -72.83 -6.57 45.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.3 p -52.09 -24.19 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.24 40.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.33 121.89 24.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.427 ' OD1' ' HB2' ' A' ' 22' ' ' ALA . 0.7 OUTLIER 39.48 44.21 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.528 ' CD2' HG21 ' A' ' 114' ' ' THR . 34.5 t80 -100.1 131.97 45.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -120.67 108.65 14.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.834 HG23 HD11 ' A' ' 34' ' ' ILE . 10.5 p -89.31 -15.03 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.14 -11.38 60.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -90.1 -54.86 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.834 HD11 HG23 ' A' ' 31' ' ' VAL . 31.9 pt -54.52 -25.79 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.048 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -57.45 130.52 46.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.12 -178.45 17.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.91 119.35 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.764 ' CD1' HD12 ' A' ' 64' ' ' ILE . 3.1 m95 -105.69 179.64 4.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -161.81 147.06 13.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -92.59 99.46 12.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.704 HG21 HD12 ' A' ' 145' ' ' LEU . 12.0 mm -70.89 -69.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 169' ' ' ASP . 26.5 mm -140.28 148.5 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.579 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.3 tp -117.03 133.64 55.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.565 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -139.36 129.25 24.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.5 ' HB2' HD22 ' A' ' 135' ' ' LEU . 44.4 t -170.77 148.37 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 30.1 t0 -68.84 81.25 0.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.535 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.85 74.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.601 ' HD2' HD11 ' A' ' 168' ' ' ILE . 9.5 mmm-85 -55.02 -28.58 53.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.42 -5.07 43.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -100.51 -43.13 6.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -110.16 50.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -171.46 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -49.77 -37.9 31.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -122.76 68.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.83 -173.73 20.7 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.433 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -117.67 -25.77 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -90.36 -19.76 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -77.26 59.4 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -116.2 156.97 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.8 159.89 33.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 38' ' ' TRP . 58.3 tp -107.46 153.3 23.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.51 -172.03 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -81.57 108.01 14.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.764 HD12 ' CD1' ' A' ' 38' ' ' TRP . 4.1 mt -63.05 140.11 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -105.56 99.14 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.532 HG22 HG22 ' A' ' 31' ' ' VAL . 69.2 t -63.86 128.58 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.471 HD12 ' HB2' ' A' ' 70' ' ' SER . 16.3 mt -116.82 -167.68 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -54.34 -53.21 56.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -133.28 -20.05 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.471 ' HB2' HD12 ' A' ' 67' ' ' LEU . 4.7 m -108.43 -179.68 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -155.05 122.82 5.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.872 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.441 HG23 HD11 ' A' ' 67' ' ' LEU . 47.1 t -79.83 147.73 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.67 131.07 15.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -107.43 152.83 23.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.712 ' HB3' HD22 ' A' ' 59' ' ' LEU . 92.9 m-85 -131.83 172.24 12.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -118.61 126.55 52.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.812 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.632 ' CG2' HD23 ' A' ' 59' ' ' LEU . 74.1 p -150.15 138.39 20.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.0 m -94.85 161.43 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -148.15 122.84 9.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 58.17 46.53 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 60.61 24.47 14.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -127.08 122.77 35.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.6 m -51.89 149.34 4.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.86 -179.73 3.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -160.33 142.35 12.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.532 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.8 OUTLIER -103.95 176.59 5.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -134.43 111.89 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.532 ' CE ' HD12 ' A' ' 86' ' ' LEU . 25.5 mmt -107.45 164.58 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.474 HG22 ' OD1' ' A' ' 91' ' ' ASP . 4.2 p -150.38 116.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.708 ' HB1' ' HB3' ' A' ' 99' ' ' TYR . . . -98.5 116.69 31.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.474 ' OD1' HG22 ' A' ' 89' ' ' VAL . 5.5 m-20 -115.2 160.13 20.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -69.08 152.49 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.524 HG21 ' HB3' ' A' ' 100' ' ' SER . 71.1 p -140.16 177.14 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -57.17 -23.85 50.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -58.18 179.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.03 106.89 16.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.42 32.54 83.36 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 110' ' ' THR . 11.8 tt0 -128.41 116.38 19.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.708 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 48.4 m-85 -79.32 169.37 18.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.524 ' HB3' HG21 ' A' ' 93' ' ' THR . 56.6 p -131.36 117.77 19.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 90' ' ' ALA . 2.9 m -110.93 170.44 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.0 m -111.42 91.45 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.41 173.12 6.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -48.25 -28.1 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.58 162.18 26.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -49.78 122.66 6.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.615 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -159.51 166.26 31.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -140.09 137.15 34.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.798 ' HB2' HD12 ' A' ' 124' ' ' LEU . 6.0 t80 -102.26 138.79 38.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 98' ' ' GLU . 17.1 p -146.43 174.06 11.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 121' ' ' MET . 12.3 mt -136.87 95.54 12.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.558 0.695 . . . . 0.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.4 Cg_endo -69.86 -47.49 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.308 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.31 108.92 16.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.708 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.4 t -106.87 88.35 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -112.87 52.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.9 -32.58 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.85 -44.17 49.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -121.06 -70.23 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.615 ' CD1' HG23 ' A' ' 149' ' ' ILE . 21.2 p90 -134.85 132.84 39.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.4 tp -92.17 148.46 22.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.633 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.7 ttm -125.09 147.32 49.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -138.6 161.89 35.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.477 ' CE1' HD11 ' A' ' 125' ' ' ILE . 8.8 t-160 -149.94 106.67 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.7 tt -120.8 124.59 45.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.477 HD11 ' CE1' ' A' ' 123' ' ' HIS . 64.3 mt -107.16 133.43 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -125.72 123.0 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -108.98 103.4 12.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 156.05 41.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.08 33.93 11.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 66.74 11.89 58.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -139.21 152.55 47.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.41 158.41 44.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -155.31 155.36 33.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -102.36 107.08 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.682 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -89.35 140.36 29.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.682 ' N ' HD13 ' A' ' 135' ' ' LEU . 53.3 mtm -138.48 108.97 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.579 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -98.0 116.74 5.62 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.511 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.4 tt -79.64 125.21 29.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.616 ' N ' HD23 ' A' ' 138' ' ' LEU . 21.8 m-85 -120.19 155.35 33.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.43 157.49 27.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -47.19 -53.36 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 2.0 mt-10 -93.17 161.01 32.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.2 Cg_endo -69.89 -5.87 17.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.31 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -140.03 132.92 29.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.704 HD12 HG21 ' A' ' 41' ' ' ILE . 23.4 mt -108.51 138.42 44.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -62.78 175.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.3 m -77.1 -9.13 58.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -86.92 -32.37 20.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.615 HG23 ' CD1' ' A' ' 119' ' ' PHE . 83.4 mt -90.94 -47.47 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -31.15 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -71.11 -28.51 64.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -59.97 -42.76 94.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 12.9 t80 -66.4 -25.45 66.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.698 ' HB1' ' CD ' ' A' ' 164' ' ' ARG . . . -76.62 -16.17 59.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -78.83 -28.53 44.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.49 HD22 ' SD ' ' A' ' 121' ' ' MET . 3.0 tp -91.27 -36.3 13.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 9.3 p -49.87 -33.54 17.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.38 -40.37 67.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -70.92 -10.81 60.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -104.95 5.89 33.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.16 -19.21 47.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 25.7 mt -74.74 99.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 111.074 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.68 148.25 4.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.698 ' CD ' ' HB1' ' A' ' 154' ' ' ALA . 1.3 mmm-85 -59.51 -22.53 61.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.643 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.5 mt-10 -78.03 -25.71 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.577 ' O ' HD12 ' A' ' 168' ' ' ILE . 11.7 m-20 -70.54 -11.04 60.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.565 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -70.29 113.91 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.601 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -99.73 114.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.644 ' HA ' HD12 ' A' ' 42' ' ' ILE . 2.4 m-20 -89.08 122.44 32.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 173' ' ' ALA . 1.0 OUTLIER -133.82 25.74 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 1.3 t -56.63 -25.24 52.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -115.43 26.83 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 170' ' ' LEU . . . -135.22 109.85 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -175.68 112.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.21 165.83 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -98.38 129.64 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 177' ' ' LEU . 3.2 pp -53.08 171.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -125.05 138.38 54.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.62 162.41 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.59 -175.39 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 43.6 mtp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.786 0.326 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.39 35.32 0.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -126.17 133.26 51.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -166.63 163.31 16.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -97.96 -175.33 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 54.8 p-80 -157.69 171.19 20.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -99.37 148.62 24.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -146.39 132.35 19.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -69.92 143.48 52.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -165.95 148.76 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.93 146.66 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -56.31 156.21 6.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.31 -94.82 1.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -152.65 137.53 17.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -51.89 170.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.85 -179.63 1.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 114' ' ' THR . . . -167.45 -178.68 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.34 160.83 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.46 -9.77 58.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.6 p -58.25 -20.25 40.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.34 40.16 1.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.565 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -124.45 100.3 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 51.83 48.38 22.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.49 ' CD2' HG21 ' A' ' 114' ' ' THR . 27.5 t80 -99.88 139.56 35.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -130.04 105.18 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.883 HG23 HD11 ' A' ' 34' ' ' ILE . 8.9 p -85.08 -14.52 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.49 -12.7 61.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -89.66 -57.15 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.883 HD11 HG23 ' A' ' 31' ' ' VAL . 25.5 pt -52.5 -27.44 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -55.95 148.02 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.32 -167.98 12.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' N ' HE21 ' A' ' 63' ' ' GLN . 49.9 mt-10 -64.35 120.03 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 110.833 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.768 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.3 m95 -103.84 -178.07 3.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -162.88 144.27 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.44 99.6 11.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.696 HG21 HD12 ' A' ' 145' ' ' LEU . 7.8 mm -68.59 -68.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 41' ' ' ILE . 25.5 mm -140.65 146.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.647 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.3 tp -118.98 141.04 49.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.669 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -145.99 133.38 20.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.507 ' OG ' HD12 ' A' ' 51' ' ' ILE . 54.2 p -170.89 147.99 2.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 52.6 t0 -67.64 80.33 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.615 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 166.17 77.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.813 ' HD2' HD11 ' A' ' 168' ' ' ILE . 6.0 mmm180 -54.74 -28.62 49.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -75.3 -6.36 49.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.52 -41.92 7.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.747 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -108.1 47.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.69 -172.58 2.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.39 -40.29 49.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -119.31 69.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -110.61 -172.05 19.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.548 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -115.29 -28.65 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -91.97 -11.75 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -83.74 67.0 9.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.964 HD23 HG23 ' A' ' 77' ' ' THR . 0.3 OUTLIER -126.1 154.13 43.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.65 133.18 42.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 38' ' ' TRP . 54.1 tp -77.88 152.54 33.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -109.51 -171.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.466 HE21 ' N ' ' A' ' 37' ' ' GLU . 4.1 tt0 -80.32 108.55 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.768 HD12 ' CD1' ' A' ' 38' ' ' TRP . 46.5 mt -70.17 136.02 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.16 136.73 41.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.8 t -95.48 118.39 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.592 HD21 HG23 ' A' ' 72' ' ' VAL . 1.8 mm? -108.29 -170.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.87 -60.01 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -139.79 10.21 2.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.421 ' C ' HD23 ' A' ' 71' ' ' LEU . 1.4 m -124.41 179.06 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 70' ' ' SER . 0.0 OUTLIER -148.86 116.45 6.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.592 HG23 HD21 ' A' ' 67' ' ' LEU . 92.5 t -82.42 118.72 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.744 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.5 pt? -122.84 135.03 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -118.94 152.08 36.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.791 ' HB3' HD22 ' A' ' 59' ' ' LEU . 77.2 m-85 -130.44 175.59 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -129.89 115.1 16.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.799 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.964 HG23 HD23 ' A' ' 59' ' ' LEU . 1.4 p -125.65 154.49 42.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.2 m -110.82 160.6 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -150.57 120.83 7.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 58.4 48.2 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 60.49 34.19 20.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -132.59 139.61 47.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.3 m -73.53 137.91 44.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.06 179.68 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -160.16 146.05 15.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -110.67 -179.63 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -132.7 105.39 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.469 ' SD ' HD12 ' A' ' 86' ' ' LEU . 20.7 mmt -107.71 161.44 14.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 89' ' ' VAL . 4.1 p -150.26 116.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.186 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.97 112.28 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -108.56 165.59 11.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -76.42 167.46 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 28.5 p -150.27 -179.65 7.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -81.82 -0.08 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -77.78 -176.6 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.87 115.07 29.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 52.66 31.53 37.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.71 ' HA ' HG22 ' A' ' 110' ' ' THR . 5.6 tt0 -132.15 104.74 6.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -80.75 161.76 24.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 t -120.89 121.55 38.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.3 p -112.95 132.94 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 95.6 m -69.37 92.19 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.83 172.97 6.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.05 -26.62 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.938 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.96 163.99 28.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.432 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -49.67 121.38 5.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.69 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -159.13 169.16 24.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.66 127.28 19.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.823 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.3 t80 -99.56 131.08 45.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.71 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.9 p -136.14 177.89 7.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.632 HG23 ' O ' ' A' ' 121' ' ' MET . 37.6 mt -139.94 97.36 7.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.614 0.721 . . . . 0.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 54.1 Cg_endo -69.72 -48.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.17 109.1 14.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.697 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.5 t -102.7 88.71 3.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.83 50.19 0.94 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.55 -33.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -47.21 -45.6 23.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -122.11 -69.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.538 ' CD2' HG23 ' A' ' 149' ' ' ILE . 33.0 p90 -132.84 131.16 40.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 114' ' ' THR . 19.9 tp -92.58 150.23 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.632 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.8 ttt -126.71 135.93 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -135.89 143.78 45.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.539 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.9 t-80 -128.69 110.7 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.796 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.823 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.9 tt -120.45 140.57 51.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' A' ' 123' ' ' HIS . 23.0 mt -127.13 131.47 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -122.63 132.7 54.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -119.78 99.55 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -136.6 157.39 46.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 59.86 24.32 13.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.33 0.44 78.07 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.418 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -122.87 153.16 40.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -143.79 159.08 43.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -149.95 154.23 37.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -91.9 109.25 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 136' ' ' MET . 3.4 tm? -96.8 140.43 31.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.667 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.3 OUTLIER -145.86 109.56 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.647 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -100.25 120.36 6.85 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 139' ' ' TYR . 3.0 tp -89.86 118.93 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.511 ' N ' HD12 ' A' ' 138' ' ' LEU . 22.3 m-85 -111.58 157.92 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -147.47 148.61 20.33 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.574 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -30.26 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.532 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 1.2 mm-40 -110.53 160.62 27.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.737 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.4 Cg_endo -69.74 -4.66 14.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -147.52 136.54 22.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 41' ' ' ILE . 23.3 mt -108.74 143.37 37.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.0 t -69.08 176.41 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 m -77.84 -4.23 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -32.68 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.538 HG23 ' CD2' ' A' ' 119' ' ' PHE . 93.0 mt -90.59 -45.87 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -54.99 -29.37 56.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -74.44 -30.48 61.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -57.24 -41.58 79.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.813 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 44' ' ' ALA . 15.6 t80 -67.43 -39.57 85.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.583 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -56.82 -20.1 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.02 -24.5 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 41.6 tp -90.16 -36.17 14.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 13.6 p -57.97 -35.99 71.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -70.95 -30.98 67.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -74.36 -27.03 60.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -91.22 6.62 44.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.26 -19.98 43.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 19.2 mt -69.9 99.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.976 0.417 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.629 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -51.07 147.55 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.583 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 23.3 tpt180 -61.74 -18.19 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.797 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.629 ' HB2' HD12 ' A' ' 163' ' ' LEU . 19.2 mm-40 -82.62 -11.16 58.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.623 ' O ' HD12 ' A' ' 168' ' ' ILE . 19.2 m-20 -88.55 -8.55 54.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.669 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -70.75 113.88 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.813 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -98.64 135.49 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -75.67 134.01 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.69 -19.85 13.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 60.7 p -56.43 -22.69 33.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -92.06 -27.44 17.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -112.31 110.07 20.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -138.85 -51.5 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.67 172.48 10.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 35.4 m -54.64 174.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 pp -145.8 177.87 8.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -156.37 136.92 13.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -86.47 153.73 21.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -126.67 134.06 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.4 ttm . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.797 0.332 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.71 151.86 5.51 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.7 p -139.92 167.14 22.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.824 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -175.59 153.27 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -175.46 122.67 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -147.11 170.99 16.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -152.24 -177.03 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -125.67 138.02 53.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -130.77 -39.91 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -52.09 151.39 3.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.94 147.21 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -105.87 -26.79 11.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -160.14 173.84 36.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -105.18 131.94 52.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -140.15 170.22 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.77 -179.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.656 ' O ' HG22 ' A' ' 114' ' ' THR . . . -157.47 -179.15 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 p -130.02 154.11 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -11.48 59.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.0 p -53.86 -23.9 14.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.59 40.22 1.37 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -125.98 99.9 6.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.0 t30 56.67 46.25 20.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CD2' HG21 ' A' ' 114' ' ' THR . 21.4 t80 -100.1 141.41 32.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -128.2 96.83 4.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.829 HG23 HD11 ' A' ' 34' ' ' ILE . 8.3 p -79.7 -15.07 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -68.8 -11.62 60.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.78 -55.34 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.829 HD11 HG23 ' A' ' 31' ' ' VAL . 25.8 pt -55.13 -24.4 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.539 ' ND2' HG22 ' A' ' 66' ' ' VAL . 15.6 t-20 -58.76 130.08 45.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.52 -178.82 16.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.54 119.67 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.803 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.8 m95 -106.82 179.34 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.24 143.14 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.51 99.73 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.135 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.581 ' O ' HD13 ' A' ' 42' ' ' ILE . 6.8 mm -68.08 -68.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.581 HD13 ' O ' ' A' ' 41' ' ' ILE . 28.2 mm -138.33 147.6 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.627 HD12 ' HA2' ' A' ' 137' ' ' GLY . 6.3 tp -120.17 132.18 55.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.628 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -136.82 129.91 31.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.484 ' OG ' HD12 ' A' ' 51' ' ' ILE . 86.8 p -162.46 148.06 12.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 18.1 t0 -68.93 80.12 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.553 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.73 74.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.774 ' HD2' HD11 ' A' ' 168' ' ' ILE . 16.0 mmm-85 -54.84 -29.81 56.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.5 -6.37 46.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 -50.2 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.823 HG13 HD13 ' A' ' 168' ' ' ILE . 0.1 OUTLIER -94.0 40.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.4 -173.66 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -50.49 121.94 6.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 60.41 35.45 20.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.63 -160.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -118.79 -28.82 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.56 ' CD2' HD13 ' A' ' 135' ' ' LEU . 3.3 m-85 -96.98 -16.38 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.788 ' HG2' HD11 ' A' ' 170' ' ' LEU . 0.1 OUTLIER -72.47 78.39 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.695 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -132.16 154.43 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.84 159.41 28.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.626 HD23 ' HB3' ' A' ' 38' ' ' TRP . 48.7 tp -102.8 152.14 21.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -108.72 -172.78 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -81.2 108.26 14.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.803 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.5 mt -64.19 139.73 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -105.66 99.62 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.542 ' CG1' HG22 ' A' ' 31' ' ' VAL . 19.6 m -65.48 122.35 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.529 HD11 HG23 ' A' ' 72' ' ' VAL . 13.3 mt -109.86 -167.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -58.67 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -127.54 -19.2 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -108.75 -179.4 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.49 122.8 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.529 HG23 HD11 ' A' ' 67' ' ' LEU . 43.4 t -79.97 148.34 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.473 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 2.6 pt? -149.66 134.76 18.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -114.93 151.82 33.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.519 ' HB3' HD22 ' A' ' 59' ' ' LEU . 95.8 m-85 -128.78 172.48 11.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -124.64 114.58 19.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.695 ' CG2' HD23 ' A' ' 59' ' ' LEU . 14.5 p -127.14 157.28 40.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -105.98 125.77 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.131 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 -114.79 118.39 33.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 63.91 46.48 3.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 59.17 26.08 14.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.436 ' O ' HG12 ' A' ' 78' ' ' VAL . 2.4 tt0 -132.33 141.02 48.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.01 149.06 6.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.67 178.49 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -160.62 145.59 14.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.685 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -109.38 -179.45 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.4 p -127.52 128.7 46.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.685 ' CE ' HD12 ' A' ' 86' ' ' LEU . 17.9 mmt -129.1 157.25 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 89' ' ' VAL . 2.6 p -150.31 100.4 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.59 124.29 30.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -122.4 164.67 17.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.24 155.6 39.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.3 p -142.04 171.35 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -57.64 -23.57 51.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -60.46 178.58 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.2 108.52 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.62 29.01 73.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.551 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.687 ' HA ' HG22 ' A' ' 110' ' ' THR . 11.5 tt0 -127.98 105.37 8.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -79.61 169.98 17.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.74 127.82 37.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -116.92 170.45 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.8 m -104.01 91.65 4.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -107.08 172.39 6.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -50.34 -26.42 4.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.93 169.5 27.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -49.88 120.93 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.52 170.61 21.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.7 135.21 20.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.836 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.1 t80 -104.84 135.97 45.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.687 HG22 ' HA ' ' A' ' 98' ' ' GLU . 15.6 p -142.21 176.66 8.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 121' ' ' MET . 34.6 mt -138.96 95.46 9.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.67 -48.64 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 108.96 15.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.3 t -105.5 88.43 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.08 51.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.65 -33.17 1.72 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -51.54 -42.29 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.811 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -120.64 -70.87 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CD1' HG23 ' A' ' 149' ' ' ILE . 42.7 p90 -137.2 131.21 32.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 114' ' ' THR . 20.3 tp -92.38 150.29 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.52 ' O ' HG23 ' A' ' 111' ' ' ILE . 4.8 mmm -129.86 131.03 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -124.99 138.07 54.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.526 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.8 t-160 -120.37 112.93 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.836 HD12 ' HB2' ' A' ' 109' ' ' PHE . 5.7 tt -126.82 133.41 50.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.526 HD11 ' CE1' ' A' ' 123' ' ' HIS . 11.0 mt -117.81 135.26 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.49 119.13 33.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -111.34 99.77 8.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -147.6 159.87 43.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 63.94 34.71 11.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.25 19.35 63.97 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -149.32 157.15 43.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.8 t -144.42 159.94 41.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.511 ' HE2' HD12 ' A' ' 135' ' ' LEU . 0.8 OUTLIER -147.58 152.23 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.873 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -95.59 117.47 30.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 57' ' ' PHE . 4.9 tt -116.1 137.51 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.11 108.98 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.627 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -90.29 120.64 5.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 139' ' ' TYR . 3.7 tp -93.19 121.33 34.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.501 ' N ' HD12 ' A' ' 138' ' ' LEU . 19.1 m-85 -114.2 160.09 19.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.76 150.29 22.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -50.32 -31.02 13.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 0.0 110.816 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.4 OUTLIER -105.71 161.23 23.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.557 0.694 . . . . 0.0 110.914 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.4 Cg_endo -69.75 -6.62 19.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -149.2 142.11 24.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.577 HD12 HG21 ' A' ' 41' ' ' ILE . 24.9 mt -108.95 141.2 41.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.2 t -65.47 179.64 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 55.5 m -79.26 -6.04 55.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -89.07 -32.62 17.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.577 HG22 HD13 ' A' ' 145' ' ' LEU . 84.8 mt -90.74 -47.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -31.05 43.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.84 -31.48 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -57.59 -44.22 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 9.0 t80 -65.1 -37.31 87.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.697 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -64.53 -18.41 64.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -81.17 -24.6 37.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 13.6 tp -90.31 -39.37 12.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 13.7 p -52.88 -34.59 55.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -70.94 -30.57 66.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -76.09 -24.4 55.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -93.26 6.65 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.31 -17.22 55.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 28.2 mt -73.0 99.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.34 148.34 3.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.697 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 27.6 tpt85 -58.57 -22.39 55.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.68 ' HB2' HD12 ' A' ' 163' ' ' LEU . 4.4 mm-40 -76.4 -25.62 54.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -71.49 -9.73 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.628 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.7 mp -73.87 122.41 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.823 HD13 HG13 ' A' ' 51' ' ' ILE . 1.4 mp -112.33 114.92 48.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.187 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.546 ' HA ' HD12 ' A' ' 42' ' ' ILE . 5.7 p-10 -71.24 131.91 44.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.788 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.0 mm? -100.78 -24.24 14.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 19.6 p -51.41 -38.5 53.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -103.84 29.99 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.681 ' HB1' HH21 ' A' ' 58' ' ' ARG . . . -152.76 115.74 4.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -172.16 112.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -150.12 150.52 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 37.6 t -108.51 -26.31 10.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 21.3 mt -91.54 167.93 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -114.33 122.52 46.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.83 170.19 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.062 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 66.73 12.82 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.458 -0.026 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.25 166.68 38.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -139.99 -179.99 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -143.45 -176.04 4.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -136.97 -178.23 5.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -161.02 173.12 15.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -151.82 -176.93 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.805 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -126.27 159.29 33.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -136.79 -54.69 0.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -52.15 155.86 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.04 -78.23 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -149.75 -177.29 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.84 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.57 132.65 6.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -125.0 115.25 20.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.321 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -140.26 168.72 19.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.77 179.36 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.662 ' O ' HG22 ' A' ' 114' ' ' THR . . . -170.29 -178.82 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -132.0 156.68 45.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -10.59 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.2 p -54.28 -24.55 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.5 40.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -127.41 100.28 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 t30 56.1 47.44 19.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CD2' HG21 ' A' ' 114' ' ' THR . 29.3 t80 -100.1 141.99 32.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -127.77 107.12 9.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.78 HG23 HD11 ' A' ' 34' ' ' ILE . 9.2 p -89.61 -12.69 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -71.56 -14.9 62.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -86.01 -55.61 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.78 HD11 HG23 ' A' ' 31' ' ' VAL . 22.0 pt -54.74 -25.08 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -56.87 142.08 42.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.14 -174.74 15.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.444 ' N ' HE21 ' A' ' 63' ' ' GLN . 1.2 mm-40 -56.4 124.29 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.811 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.4 m95 -109.4 -177.68 3.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -162.79 144.4 10.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 99.53 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.725 HG21 HD12 ' A' ' 145' ' ' LEU . 8.0 mm -67.2 -67.94 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.571 HD13 ' O ' ' A' ' 41' ' ' ILE . 31.0 mm -139.53 145.81 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.716 HD12 ' HA2' ' A' ' 137' ' ' GLY . 4.5 tp -118.26 119.82 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -123.64 129.79 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.424 ' HB3' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -165.3 144.21 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 7.1 p30 -67.94 81.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER 167.1 71.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.808 ' HD2' HD11 ' A' ' 168' ' ' ILE . 3.1 mmm180 -54.09 -30.57 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -72.96 -7.54 51.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.97 -50.41 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.792 HG13 HD13 ' A' ' 168' ' ' ILE . 0.0 OUTLIER -92.89 40.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.828 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.63 -173.18 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.56 119.97 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 67.86 29.55 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.24 -163.52 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.7 -22.45 8.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -108.47 -14.82 14.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.92 60.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.677 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -116.89 149.57 39.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -69.5 159.54 33.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.69 HD23 ' HB3' ' A' ' 38' ' ' TRP . 42.9 tp -103.09 151.76 22.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.64 -171.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.444 HE21 ' N ' ' A' ' 37' ' ' GLU . 5.1 tt0 -80.82 108.21 14.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.811 HD12 ' CD1' ' A' ' 38' ' ' TRP . 16.4 mt -66.17 140.26 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -105.87 126.72 52.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.1 t -86.12 118.19 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 67' ' ' LEU . 2.8 mm? -104.17 -175.54 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -48.02 -53.95 14.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -140.53 6.85 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.0 m -125.6 -179.65 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -147.23 121.78 9.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.465 HG23 HD21 ' A' ' 67' ' ' LEU . 84.5 t -89.08 115.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.738 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.2 pt? -115.4 134.44 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.66 152.85 33.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.738 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 72.4 m-85 -129.92 -173.38 3.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -143.01 122.27 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.677 ' CG2' HD23 ' A' ' 59' ' ' LEU . 2.1 p -137.67 158.4 44.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.0 m -110.82 161.35 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -146.18 111.49 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 63.73 49.5 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 62.37 20.58 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -117.65 140.7 49.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.7 m -71.88 139.07 48.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.23 179.19 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -160.46 141.32 11.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -104.32 178.56 4.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 p -141.71 116.12 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.6 mmt -125.2 164.98 19.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 89' ' ' VAL . 5.2 p -150.28 119.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.9 110.61 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.82 152.1 23.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -62.2 167.29 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.3 p -150.71 -179.81 7.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -78.21 -6.19 54.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -75.75 178.0 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -109.99 116.9 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.45 22.12 50.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.403 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.706 ' HA ' HG22 ' A' ' 110' ' ' THR . 8.0 tt0 -127.08 103.37 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -82.52 159.96 22.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.5 t -119.24 124.17 46.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.4 p -115.32 128.09 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.3 m -64.5 92.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.41 172.87 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.59 -27.46 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.01 164.18 27.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.523 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -49.73 120.95 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.686 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -158.27 169.93 23.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.97 126.9 18.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.832 ' HB2' HD12 ' A' ' 124' ' ' LEU . 1.6 t80 -99.41 131.04 45.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.706 HG22 ' HA ' ' A' ' 98' ' ' GLU . 12.4 p -136.89 175.15 9.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 121' ' ' MET . 47.7 mt -139.0 96.61 9.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.9 Cg_endo -69.75 -48.66 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.22 . . . . 0.0 112.365 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.98 109.19 15.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.662 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.0 t -104.57 89.1 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.52 50.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -43.51 -33.36 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -47.33 -45.56 24.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.776 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -121.87 -69.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.542 ' CD1' HG23 ' A' ' 149' ' ' ILE . 26.2 p90 -133.72 131.0 38.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 114' ' ' THR . 21.0 tp -92.7 150.75 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.672 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.8 ttt -126.8 136.45 52.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -136.72 140.73 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.561 ' CE1' HD11 ' A' ' 125' ' ' ILE . 11.5 t-160 -126.7 112.41 15.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.832 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.8 tt -122.36 139.33 53.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.561 HD11 ' CE1' ' A' ' 123' ' ' HIS . 19.6 mt -125.62 131.63 71.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -121.8 133.67 54.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -120.55 99.72 6.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -137.41 156.43 48.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 60.47 28.06 17.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 73.25 6.21 68.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -129.32 151.19 50.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.982 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.6 t -141.98 160.11 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -150.96 152.73 33.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -89.75 108.25 19.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 136' ' ' MET . 3.3 tm? -97.12 139.64 32.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.656 ' N ' HD13 ' A' ' 135' ' ' LEU . 4.7 ttm -144.81 114.19 7.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.716 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -105.44 109.55 3.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.667 HD22 ' HB2' ' A' ' 153' ' ' PHE . 7.0 tp -80.56 120.58 24.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.478 ' CE1' HD22 ' A' ' 61' ' ' LEU . 17.7 m-85 -112.89 156.2 23.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -144.97 151.27 23.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -53.52 -24.01 12.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.8 OUTLIER -116.66 164.35 18.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 110.873 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.5 Cg_endo -69.79 -4.5 14.18 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.289 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -149.23 146.36 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.725 HD12 HG21 ' A' ' 41' ' ' ILE . 17.3 mt -112.83 149.3 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.2 t -76.07 163.25 27.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.6 m -62.71 -15.89 54.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.53 -32.77 28.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.553 HG22 HD13 ' A' ' 145' ' ' LEU . 87.8 mt -91.0 -48.24 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -53.3 -31.28 43.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.56 -32.06 69.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -58.55 -35.34 72.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.667 ' HB2' HD22 ' A' ' 138' ' ' LEU . 14.8 t80 -70.35 -28.33 65.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.75 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -77.21 -18.01 58.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -80.21 -25.98 39.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 53.1 tp -91.12 -37.76 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 11.9 p -51.76 -35.27 43.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -72.04 -33.89 68.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.05 -14.76 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -102.01 7.83 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.19 -10.21 69.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 60.3 mt -82.12 99.35 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.183 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -49.71 148.76 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.75 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 8.5 tpt180 -59.61 -21.58 60.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.684 ' HB2' HD12 ' A' ' 163' ' ' LEU . 1.9 mm-40 -75.9 -21.5 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.411 ' O ' HD12 ' A' ' 168' ' ' ILE . 55.9 m-20 -78.11 -4.47 47.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.5 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.5 mp -75.66 117.14 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.184 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.808 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.3 mp -107.09 126.02 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.546 ' HA ' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -77.39 129.64 36.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.03 -23.78 13.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 3.7 p -52.92 -29.3 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -111.46 30.02 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -146.14 116.38 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -173.97 123.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -175.75 154.58 1.57 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . 0.736 ' HB3' HD23 ' A' ' 177' ' ' LEU . 0.1 OUTLIER -87.52 -26.91 22.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.736 HD23 ' HB3' ' A' ' 176' ' ' CYS . 0.2 OUTLIER -154.94 179.06 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -128.92 156.96 42.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -53.92 169.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.05 177.5 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 30.7 mtm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.69 -158.8 8.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 p -132.97 166.15 23.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -134.99 158.75 43.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -167.95 166.11 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -121.21 99.71 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -113.02 26.18 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -116.04 123.61 48.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -98.84 -58.64 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -151.73 167.1 29.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.5 ' H ' HD12 ' A' ' 16' ' ' ILE . 4.4 mp -82.82 147.86 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -103.46 -24.92 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.422 ' H ' HG22 ' A' ' 16' ' ' ILE . . . -69.25 -150.41 0.38 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -170.18 137.51 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -118.85 170.02 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -69.78 -179.85 1.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.658 ' O ' HG22 ' A' ' 114' ' ' THR . . . -166.09 -179.53 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -130.95 160.02 35.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.1 p -68.39 -12.01 60.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p -55.78 -22.79 26.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.179 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.42 40.0 1.42 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.55 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 5.4 ttm180 -124.47 99.8 6.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.3 38.96 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CD2' HG21 ' A' ' 114' ' ' THR . 24.2 t80 -95.58 132.31 40.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -122.75 96.56 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.949 HG23 HD11 ' A' ' 34' ' ' ILE . 7.4 p -76.43 -16.1 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -66.23 -18.18 65.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -85.23 -57.37 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.949 HD11 HG23 ' A' ' 31' ' ' VAL . 30.0 pt -53.52 -26.28 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -55.34 148.57 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.76 -171.27 14.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.56 120.07 11.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.822 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.7 m95 -101.42 -177.06 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -162.19 142.72 10.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.38 99.11 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.774 HG21 HD12 ' A' ' 145' ' ' LEU . 11.5 mm -66.87 -68.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.613 HG12 HG22 ' A' ' 41' ' ' ILE . 27.2 mm -141.06 148.07 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.658 HD12 ' HA2' ' A' ' 137' ' ' GLY . 1.3 tp -119.11 127.82 53.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.696 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . . . -136.05 129.61 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.425 ' HB2' ' HA ' ' A' ' 135' ' ' LEU . 33.1 t -171.41 149.6 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 21.4 t0 -69.65 81.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.525 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 169.19 65.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.591 ' HD2' HD11 ' A' ' 168' ' ' ILE . 7.4 mmm180 -43.01 -48.1 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -51.89 -38.99 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -47.59 70.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.625 ' CG2' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -108.83 51.64 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.075 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -176.54 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -52.21 -30.32 26.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -131.39 65.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.96 -165.09 19.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -119.1 -30.62 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -86.92 -14.18 42.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.531 ' NH2' ' HB1' ' A' ' 173' ' ' ALA . 0.1 OUTLIER -77.71 59.52 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' A' ' 75' ' ' PHE . 0.3 OUTLIER -118.53 153.59 33.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -73.5 147.22 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 139' ' ' TYR . 29.6 tp -94.16 150.41 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -108.54 -171.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -78.71 126.48 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.822 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.7 mt -79.75 139.07 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -104.2 99.39 9.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.562 HG22 HG22 ' A' ' 31' ' ' VAL . 86.4 t -63.29 121.31 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.504 HD11 HG23 ' A' ' 72' ' ' VAL . 11.0 mt -109.78 -168.02 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -52.88 -53.08 54.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -134.75 -20.12 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.0 m -108.23 -179.11 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -153.87 127.23 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.504 HG23 HD11 ' A' ' 67' ' ' LEU . 48.0 t -82.74 148.08 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.041 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.747 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -144.11 137.23 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -117.75 151.87 36.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.747 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 71.6 m-85 -129.52 170.22 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -118.17 128.35 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.568 ' CG2' HD23 ' A' ' 59' ' ' LEU . 36.6 p -150.01 142.81 24.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.6 m -99.95 160.65 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 tpt85 -150.08 121.92 8.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 62.79 45.53 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.415 ' OE2' HD13 ' A' ' 177' ' ' LEU . 26.7 mm-40 60.71 24.54 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.64 143.37 51.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 31.9 m -70.54 144.79 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.96 179.47 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -160.81 144.06 13.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.531 ' H ' HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -105.52 177.53 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.5 p -130.12 135.87 48.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.442 ' CE ' HD12 ' A' ' 86' ' ' LEU . 15.2 mmt -138.16 157.26 46.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 89' ' ' VAL . 3.4 p -149.94 113.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.058 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.699 ' HB1' ' CB ' ' A' ' 99' ' ' TYR . . . -88.4 100.87 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -93.86 141.77 28.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.8 163.53 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.537 HG21 ' HB3' ' A' ' 100' ' ' SER . 39.7 p -148.54 179.87 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.06 -18.21 59.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -61.0 -171.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -110.06 99.73 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.136 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.3 25.77 67.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -118.08 117.15 28.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.699 ' CB ' ' HB1' ' A' ' 90' ' ' ALA . 94.5 m-85 -79.78 170.34 16.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.537 ' HB3' HG21 ' A' ' 93' ' ' THR . 16.2 p -126.1 94.61 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.92 148.68 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.4 m -99.99 93.19 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.93 173.05 6.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -48.39 -29.37 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.64 -91.54 1.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -160.22 133.27 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.918 0.39 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.718 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -160.94 166.9 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.0 128.52 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.739 ' HB2' HD12 ' A' ' 124' ' ' LEU . 5.2 t80 -98.37 141.75 30.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.7 p -146.12 177.84 8.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 112' ' ' PRO . 73.1 mt -141.04 91.04 9.08 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.8 Cg_endo -69.79 -48.45 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -117.64 108.48 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.672 ' HA ' HD12 ' A' ' 120' ' ' LEU . 2.2 t -104.35 89.62 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.85 50.82 0.99 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -44.45 -34.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -50.45 -42.29 54.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -120.46 -70.47 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.604 ' CD2' HG23 ' A' ' 149' ' ' ILE . 29.4 p90 -139.23 132.44 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 114' ' ' THR . 14.3 tp -92.97 147.45 22.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 47.5 mmm -125.48 137.35 53.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -135.96 141.07 44.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.51 ' CE1' HD11 ' A' ' 125' ' ' ILE . 7.7 t-160 -125.2 103.9 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.739 HD12 ' HB2' ' A' ' 109' ' ' PHE . 2.8 tt -114.17 130.53 56.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.51 HD11 ' CE1' ' A' ' 123' ' ' HIS . 54.3 mt -112.64 140.31 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -129.69 126.0 37.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.94 108.0 15.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -157.5 157.47 33.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.9 t70 65.43 27.75 11.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 72.09 10.4 73.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.456 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -139.43 148.66 43.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -138.84 159.98 40.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.7 159.44 38.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.406 ' HA ' HG12 ' A' ' 125' ' ' ILE . 4.0 pt20 -104.34 106.72 17.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.674 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -90.15 139.86 30.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.674 ' N ' HD13 ' A' ' 135' ' ' LEU . 17.4 mtt -135.6 108.84 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.658 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -99.88 117.56 5.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 139' ' ' TYR . 1.3 tt -79.56 125.14 29.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.596 ' N ' HD23 ' A' ' 138' ' ' LEU . 15.1 m-85 -119.01 149.86 40.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -147.81 153.89 25.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -50.74 -30.25 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 143' ' ' PRO . 0.7 OUTLIER -111.14 161.37 25.39 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 53.9 Cg_endo -69.75 -6.08 17.74 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.35 139.12 26.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.774 HD12 HG21 ' A' ' 41' ' ' ILE . 17.8 mt -109.17 147.0 33.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.4 t -69.78 179.97 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.9 m -81.47 -6.64 59.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.26 -31.49 16.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.604 HG23 ' CD2' ' A' ' 119' ' ' PHE . 92.6 mt -90.42 -44.37 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -53.79 -30.91 46.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -73.07 -30.37 63.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -61.55 -36.19 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.696 ' CZ ' ' HB3' ' A' ' 44' ' ' ALA . 5.9 t80 -71.74 -41.77 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -55.02 -25.51 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -65.58 -51.86 56.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.25 -28.82 70.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 73.2 m -57.95 -70.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.81 -28.59 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -75.66 -21.82 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -102.38 7.89 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 97.52 -11.64 64.93 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 22.9 mt -84.28 97.86 5.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.917 0.389 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.67 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -50.81 148.76 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.668 ' HA ' HD13 ' A' ' 167' ' ' ILE . 13.5 tpt180 -58.84 -25.12 62.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.67 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.9 mt-10 -74.46 -20.35 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.438 ' O ' HD12 ' A' ' 168' ' ' ILE . 17.2 m-20 -83.18 2.09 37.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.668 HD13 ' HA ' ' A' ' 164' ' ' ARG . 1.7 mp -79.12 109.6 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.591 HD11 ' HD2' ' A' ' 48' ' ' ARG . 2.1 mp -99.98 129.59 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.413 ' HA ' HD12 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -85.08 136.51 33.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.473 HD11 ' HG2' ' A' ' 58' ' ' ARG . 4.6 mm? -109.06 -16.4 14.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 15.7 t -53.36 -25.17 14.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -91.97 -29.99 16.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.531 ' HB1' ' NH2' ' A' ' 58' ' ' ARG . . . -111.12 109.63 19.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -140.58 -41.99 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -51.08 164.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.41 -54.26 28.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.415 HD13 ' OE2' ' A' ' 81' ' ' GLU . 4.5 pp -173.0 -178.83 1.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -149.34 160.4 43.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -72.27 170.47 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 174.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.885 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.5 mtm . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.04 144.95 9.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -140.03 167.41 22.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.8 p -174.09 -178.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -108.7 -31.86 7.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 63.43 57.1 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -105.68 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -169.51 133.75 1.36 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -151.76 -173.03 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.79 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -85.82 164.08 17.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.8 mp -141.36 147.01 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -162.89 124.34 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.1 88.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.402 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -162.28 -179.94 7.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -51.88 170.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -69.45 -179.95 1.85 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.695 ' O ' HG22 ' A' ' 114' ' ' THR . . . -153.79 -178.87 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -128.86 156.01 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 p -68.79 -10.63 57.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p -51.44 -26.46 8.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.197 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.63 40.02 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.575 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -131.33 100.67 5.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 t30 63.4 41.41 7.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CD2' HG21 ' A' ' 114' ' ' THR . 25.2 t80 -99.91 143.0 30.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -130.12 95.54 3.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.708 HG23 HD11 ' A' ' 34' ' ' ILE . 9.2 p -78.93 -9.31 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.38 -11.11 59.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -89.34 -52.78 4.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.708 HD11 HG23 ' A' ' 31' ' ' VAL . 21.2 pt -55.91 -23.48 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -61.13 129.18 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.01 179.21 15.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.591 ' N ' HE21 ' A' ' 63' ' ' GLN . 62.3 mt-10 -51.73 119.84 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.833 ' CD1' HD12 ' A' ' 64' ' ' ILE . 1.6 m95 -106.18 -178.89 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -163.03 144.17 9.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.9 m -95.04 99.93 11.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.707 HG21 HD12 ' A' ' 145' ' ' LEU . 6.3 mm -68.54 -68.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.699 HG23 ' HA ' ' A' ' 169' ' ' ASP . 21.7 mm -140.36 153.5 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.585 HD12 ' HA2' ' A' ' 137' ' ' GLY . 3.0 tp -119.99 133.15 55.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.481 ' HB2' HG13 ' A' ' 167' ' ' ILE . . . -137.95 131.75 31.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.496 ' OG ' HD12 ' A' ' 51' ' ' ILE . 63.6 p -170.32 147.96 3.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 17.2 t0 -68.11 80.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.589 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER 167.19 74.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.641 ' HD2' HD11 ' A' ' 168' ' ' ILE . 8.5 mmm-85 -55.1 -28.45 52.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -75.24 -6.28 48.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -100.51 -46.81 5.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -100.58 44.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.38 -169.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.45 -56.48 6.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -100.78 58.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.93 176.3 37.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -118.25 -18.76 9.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -98.3 -19.71 17.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.41 ' HA ' HD22 ' A' ' 43' ' ' LEU . 31.8 ttp85 -76.15 67.43 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.806 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.607 HD23 ' CG2' ' A' ' 77' ' ' THR . 0.3 OUTLIER -120.34 154.05 35.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.97 155.84 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.565 HD23 ' HB3' ' A' ' 38' ' ' TRP . 44.3 tp -102.88 152.1 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.7 -172.56 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.591 HE21 ' N ' ' A' ' 37' ' ' GLU . 8.7 tt0 -82.08 108.35 15.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.833 HD12 ' CD1' ' A' ' 38' ' ' TRP . 5.5 mt -61.63 139.2 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.38 100.47 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.63 108.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.619 HD11 HG23 ' A' ' 72' ' ' VAL . 38.6 mt -94.68 -168.66 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -56.28 13.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -137.73 7.83 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.54 ' HB2' HD12 ' A' ' 67' ' ' LEU . 2.3 m -126.99 -178.94 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.515 HD21 ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -149.04 118.77 7.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.619 HG23 HD11 ' A' ' 67' ' ' LEU . 58.1 t -86.0 119.49 34.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.767 HD12 ' CZ ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -119.66 135.39 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.83 153.04 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.767 ' CZ ' HD12 ' A' ' 73' ' ' LEU . 86.9 m-85 -132.21 169.16 16.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -124.17 128.36 49.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.607 ' CG2' HD23 ' A' ' 59' ' ' LEU . 19.8 p -150.09 148.9 29.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 m -103.71 161.29 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -148.45 121.74 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 58.59 48.45 11.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 58.99 32.57 22.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -134.64 120.82 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 73.6 m -54.87 145.48 19.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.45 -179.3 7.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.798 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -159.87 137.46 9.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.555 HD12 ' CE ' ' A' ' 88' ' ' MET . 0.5 OUTLIER -99.92 178.94 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 p -139.49 123.39 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.555 ' CE ' HD12 ' A' ' 86' ' ' LEU . 16.5 mmt -128.83 158.99 37.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 72' ' ' VAL . 83.4 t -147.37 115.81 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.74 117.07 25.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -105.66 162.01 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -71.65 164.56 25.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.586 HG21 ' HB3' ' A' ' 100' ' ' SER . 48.6 p -150.81 -179.62 7.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -82.47 0.67 41.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -174.17 1.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -107.78 99.1 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.38 14.36 53.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.533 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.696 ' HA ' HG22 ' A' ' 110' ' ' THR . 7.5 tt0 -109.75 107.51 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.515 ' CE2' HD21 ' A' ' 71' ' ' LEU . 6.2 m-85 -80.02 160.82 25.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.919 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.586 ' HB3' HG21 ' A' ' 93' ' ' THR . 89.5 p -120.43 116.32 25.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.804 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.94 135.4 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.5 m -73.0 92.51 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.08 172.67 6.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -49.35 -26.87 3.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -144.96 163.09 28.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.552 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -49.84 119.19 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.674 ' OD1' HD11 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -156.86 165.5 36.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.39 126.74 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.835 ' HB2' HD12 ' A' ' 124' ' ' LEU . 2.6 t80 -98.71 129.42 45.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.696 HG22 ' HA ' ' A' ' 98' ' ' GLU . 11.2 p -135.71 175.82 9.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 121' ' ' MET . 58.6 mt -140.88 92.71 8.62 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.702 . . . . 0.0 111.147 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 111' ' ' ILE . 53.7 Cg_endo -69.72 -48.86 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.04 108.8 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 22' ' ' ALA . 2.2 t -107.07 88.63 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.74 49.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -43.94 -31.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -44.59 -49.54 10.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -123.14 -64.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.527 ' CD2' HG23 ' A' ' 149' ' ' ILE . 28.4 p90 -132.21 130.34 40.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 114' ' ' THR . 17.5 tp -93.27 147.98 22.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.592 ' O ' HG23 ' A' ' 111' ' ' ILE . 1.5 mtm -126.2 137.98 53.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.418 ' HB1' ' HE1' ' A' ' 109' ' ' PHE . . . -134.9 160.12 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.606 ' CE1' HD11 ' A' ' 125' ' ' ILE . 13.4 t-160 -142.65 109.3 5.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.835 HD12 ' HB2' ' A' ' 109' ' ' PHE . 4.1 tt -120.8 132.82 55.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.606 HD11 ' CE1' ' A' ' 123' ' ' HIS . 25.4 mt -118.76 131.98 69.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -122.96 128.68 50.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -115.45 99.19 7.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -138.47 154.92 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 63.36 23.25 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.69 1.35 83.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -125.02 149.51 47.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.8 t -139.61 159.79 41.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.174 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -153.33 157.44 40.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -95.49 109.65 21.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 136' ' ' MET . 3.2 tm? -95.78 140.28 30.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . 0.675 ' N ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -143.08 112.23 6.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.585 ' HA2' HD12 ' A' ' 43' ' ' LEU . . . -104.03 112.35 4.12 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.406 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 139' ' ' TYR . 9.0 tp -79.76 132.79 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.559 ' N ' HD12 ' A' ' 138' ' ' LEU . 17.1 m-85 -127.19 157.22 40.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 119' ' ' PHE . . . -148.99 152.97 24.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.462 ' HG2' ' HG2' ' A' ' 142' ' ' GLU . 0.1 OUTLIER -55.97 -23.77 34.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.462 ' HG2' ' HG2' ' A' ' 141' ' ' ARG . 0.8 OUTLIER -106.93 162.63 19.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 142' ' ' GLU . 54.3 Cg_endo -69.81 -4.78 14.75 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -159.03 147.84 18.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.707 HD12 HG21 ' A' ' 41' ' ' ILE . 46.7 mt -108.98 157.82 18.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.0 t -85.86 -179.6 6.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.3 t -77.03 -4.7 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.7 -36.8 14.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 119' ' ' PHE . 91.7 mt -91.09 -43.32 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -27.75 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.95 -30.86 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -60.24 -31.09 69.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.542 ' HB2' HD22 ' A' ' 138' ' ' LEU . 18.5 t80 -68.9 -37.35 78.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . 0.53 ' HB1' ' HD3' ' A' ' 164' ' ' ARG . . . -65.91 -36.46 83.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -50.59 -31.07 14.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.463 HD22 ' SD ' ' A' ' 121' ' ' MET . 4.5 tp -91.98 -26.48 18.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.6 -37.92 89.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -75.61 -25.65 57.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -79.15 -33.15 44.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -84.17 0.31 49.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 98.92 -20.36 50.64 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ILE . . . . . . . . . . . . . 47.9 mt -67.13 96.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.088 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' A' ' 165' ' ' GLU . 0.1 OUTLIER -47.22 147.7 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.53 ' HD3' ' HB1' ' A' ' 154' ' ' ALA . 1.1 mmm180 -61.25 -18.94 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.642 ' HB2' HD12 ' A' ' 163' ' ' LEU . 9.7 mm-40 -79.42 -13.43 59.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . 0.443 ' O ' HD12 ' A' ' 168' ' ' ILE . 8.3 m-20 -85.9 -9.29 57.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.481 HG13 ' HB2' ' A' ' 44' ' ' ALA . 1.4 mp -74.01 113.74 12.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.641 HD11 ' HD2' ' A' ' 48' ' ' ARG . 1.5 mp -105.87 111.87 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.699 ' HA ' HG23 ' A' ' 42' ' ' ILE . 15.0 m-20 -84.76 116.66 23.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.5 28.44 7.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 34.1 p -52.14 -40.04 60.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -120.32 30.57 6.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -130.46 -177.84 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.99 119.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -165.81 178.86 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.34 82.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 80.0 mt -152.63 -176.87 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -146.3 117.09 7.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -89.98 169.97 10.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.65 -75.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.982 . . . . . . . . 0 0 . 1 stop_ save_