data_2cpm_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 2cpm _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 ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.0 t -39.11 -65.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -48.85 -46.42 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CD1' ' OE2' ' A' ' 77' ' ' GLU . 80.7 t80 -55.51 -50.21 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -51.06 -57.39 8.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -47.0 -51.54 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -54.4 -42.0 69.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.4 mmt -63.63 -42.82 98.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -55.68 -46.28 77.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -65.27 -46.06 82.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.46 -58.91 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.4 t -46.82 -61.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 t -47.55 -54.1 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -48.91 -43.0 38.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.67 -40.21 88.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.447 ' CG1' ' CD1' ' A' ' 90' ' ' LEU . 79.0 mt -57.42 -54.85 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -57.99 -42.62 85.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.56 114.61 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m -74.84 -48.77 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.52 -41.6 12.72 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.93 117.54 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.566 HG21 ' CE2' ' A' ' 111' ' ' PHE . 6.9 pt -99.8 -20.1 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -156.02 168.87 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.462 ' HD3' ' CZ ' ' A' ' 70' ' ' PHE . 7.9 ttmt -146.11 133.19 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.57 105.12 15.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.568 ' CD2' HD21 ' A' ' 81' ' ' LEU . 49.2 m-85 -83.61 155.97 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.434 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 18.4 tt0 -103.89 138.51 19.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.646 0.736 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.7 Cg_endo -69.77 89.02 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.2 mtm -83.99 -41.98 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -127.81 177.07 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -88.43 -38.12 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.6 mm -88.51 -36.17 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.588 ' OE2' ' CD1' ' A' ' 48' ' ' PHE . 49.2 mt-10 -40.91 -29.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.522 ' HD2' ' CD2' ' A' ' 82' ' ' HIS . 2.8 tmm_? -59.9 -58.35 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 t -58.96 -42.45 89.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.9 mt -54.78 -55.73 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.568 HD21 ' CD2' ' A' ' 70' ' ' PHE . 55.4 tp -56.37 -47.88 77.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.522 ' CD2' ' HD2' ' A' ' 78' ' ' ARG . 4.0 m-70 -47.7 -47.43 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -60.75 -51.87 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.6 t -53.08 -35.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' ALA . 74.3 t -69.72 -67.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 4.4 pt-20 -40.66 -33.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.45 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 88.7 t -77.03 -39.07 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -64.06 -33.69 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.29 32.32 2.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.447 ' CD1' ' CG1' ' A' ' 60' ' ' ILE . 60.0 mt -127.02 169.49 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.41 ' CG2' ' CE2' ' A' ' 93' ' ' PHE . 83.3 m -92.96 125.81 37.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 85.3 p -113.6 151.72 31.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.566 ' CE2' HD21 ' A' ' 118' ' ' LEU . 26.7 m-85 -165.8 163.83 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -124.6 130.81 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 103' ' ' TYR . 14.6 m-85 -139.9 126.55 20.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.82 149.13 20.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.95 -47.26 30.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.84 144.44 43.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -44.57 -40.61 5.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.37 -42.24 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 14.2 m -93.33 115.9 28.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -138.63 111.17 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.538 ' CD2' ' O ' ' A' ' 95' ' ' PHE . 4.8 p90 -100.31 165.62 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.8 p -114.5 135.64 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.459 ' HE1' ' CZ ' ' A' ' 107' ' ' PHE . 40.0 mtp -123.43 161.98 23.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.414 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 15.4 pt -141.61 145.01 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.459 ' CZ ' ' HE1' ' A' ' 105' ' ' MET . 7.2 m-85 -130.73 166.15 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -86.54 173.83 9.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -64.4 -52.43 58.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -75.45 -38.09 59.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.566 ' CE2' HG21 ' A' ' 66' ' ' ILE . 69.0 m-85 -90.02 17.97 6.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.82 144.76 91.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.415 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.6 Cg_endo -69.78 159.86 51.82 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -95.68 164.36 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -55.34 -67.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -52.56 -45.37 66.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.489 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 34.2 mt-10 -59.99 -39.43 85.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.566 HD21 ' CE2' ' A' ' 93' ' ' PHE . 20.5 mt -58.9 -48.29 81.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -58.05 -46.79 84.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.7 p -66.85 -40.24 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 13.6 m-85 -52.73 -49.31 65.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' VAL . 6.7 mptt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.807 0.337 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LYS . 84.6 t -34.29 -58.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -51.83 -57.46 9.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 79.7 t80 -49.96 -53.96 22.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -46.11 -54.78 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -49.36 -52.06 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -49.69 -57.15 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -49.5 -45.36 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -53.53 -44.77 69.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -66.61 -47.36 72.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.09 -61.89 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -44.82 -57.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 t -51.99 -56.19 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -47.37 -42.1 21.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.8 t80 -66.53 -37.17 84.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.445 ' CG1' HD13 ' A' ' 90' ' ' LEU . 83.3 mt -58.12 -52.43 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.88 -42.25 98.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.11 108.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -72.63 -45.89 56.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.76 -43.27 11.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -79.09 122.91 26.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.57 HG22 ' CE2' ' A' ' 111' ' ' PHE . 31.4 pt -99.81 -30.46 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 66' ' ' ILE . 16.1 ptpt -142.52 165.45 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 106' ' ' ILE . 13.9 tttp -150.29 138.15 20.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.425 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 28.1 ttmt -121.91 123.69 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.419 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 91.5 m-85 -95.28 155.32 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.428 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 36.5 tt0 -93.28 138.02 23.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.77 88.68 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 19.5 mtm -82.95 -41.82 18.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.476 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 38.3 m-80 -127.79 177.2 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -88.8 -30.23 19.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.2 mm -93.98 -32.83 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -44.68 -30.92 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HD2' ' CD2' ' A' ' 82' ' ' HIS . 4.8 tmm_? -61.51 -48.47 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.1 t -65.36 -50.13 66.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.4 mt -51.06 -51.16 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.424 HD23 ' CG1' ' A' ' 104' ' ' VAL . 32.5 tp -58.11 -42.77 86.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.562 ' CD2' ' HD2' ' A' ' 78' ' ' ARG . 11.7 m-70 -51.95 -51.36 57.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.59 -43.34 93.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.87 -35.33 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -72.8 -58.73 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -49.03 -33.75 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 91.9 t -76.54 -42.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.11 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.27 34.24 2.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.445 HD13 ' CG1' ' A' ' 60' ' ' ILE . 79.9 mt -125.31 168.52 13.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.4 m -87.5 135.28 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.0 p -126.75 140.63 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.524 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 31.4 m-85 -152.68 125.66 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 65.9 p -82.08 120.45 25.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.578 ' O ' ' CD2' ' A' ' 103' ' ' TYR . 41.0 m-85 -130.1 125.01 34.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.0 140.52 11.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 23.0 pm0 -79.54 -33.67 41.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.811 0.338 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.456 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 5.8 t70 -134.02 142.18 47.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.19 -39.17 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.75 -42.17 86.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 15.6 t -103.37 113.4 26.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -126.42 104.96 8.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 95' ' ' PHE . 44.2 p90 -96.14 165.52 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 105' ' ' MET . 14.7 p -117.09 144.04 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.452 ' N ' HG23 ' A' ' 104' ' ' VAL . 18.3 mtp -129.3 162.61 27.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 68' ' ' LYS . 27.3 pt -144.91 144.15 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.426 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 12.9 m-85 -128.08 165.68 19.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 112' ' ' ALA . 38.6 mttt -89.67 168.7 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -62.22 -51.59 67.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -74.54 -39.23 62.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.57 ' CE2' HG22 ' A' ' 66' ' ' ILE . 67.5 m-85 -91.79 18.05 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 108' ' ' LYS . . . -70.85 144.67 90.92 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.56 0.695 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.426 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.8 Cg_endo -69.77 153.11 69.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.316 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 m -90.26 165.96 13.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -56.79 -67.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -51.6 -45.19 63.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.457 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 63.3 mm-40 -59.66 -42.66 93.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.524 HD13 ' CZ ' ' A' ' 93' ' ' PHE . 22.4 mt -55.31 -52.3 63.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -54.36 -50.02 68.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -66.65 -32.42 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.457 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 7.9 m-85 -59.09 -43.91 91.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' VAL . 7.3 mtpm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 94.2 t -34.9 -67.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -41.61 -59.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 77' ' ' GLU . 73.8 t80 -44.47 -49.54 9.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 -54.95 -46.85 75.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -52.07 -55.79 18.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -51.2 -45.87 62.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.9 mmt -57.22 -41.88 80.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -58.41 -49.34 77.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -64.61 -46.57 82.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -59.79 -58.6 7.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -48.31 -62.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.7 t -44.6 -55.49 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -47.86 -43.03 28.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -64.92 -41.28 95.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.464 ' CG1' HD11 ' A' ' 90' ' ' LEU . 98.6 mt -54.18 -54.59 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -59.67 -41.83 91.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.44 113.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t -72.91 -58.79 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.97 -36.94 5.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -75.05 127.54 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.554 HG22 ' CE1' ' A' ' 111' ' ' PHE . 13.3 pt -113.13 -29.79 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.431 ' N ' HG13 ' A' ' 66' ' ' ILE . 35.4 pttt -147.76 160.71 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -145.35 129.09 17.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -105.72 120.6 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.451 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 64.2 m-85 -94.62 169.14 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.402 ' O ' ' SD ' ' A' ' 73' ' ' MET . 15.2 mm-40 -112.03 138.55 21.76 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.5 Cg_endo -69.78 83.58 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.7 mpp? -77.04 -41.59 41.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -127.5 176.02 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -87.54 -34.11 18.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.0 mm -92.44 -35.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -40.9 -37.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -53.16 -55.71 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.7 t -60.78 -46.67 89.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.1 mt -52.39 -53.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.459 HD23 ' CG1' ' A' ' 104' ' ' VAL . 43.2 tp -56.58 -47.89 78.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.466 ' CD2' HG22 ' A' ' 104' ' ' VAL . 3.6 m-70 -50.03 -43.69 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.88 -52.28 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.53 -37.1 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.47 -62.84 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -44.31 -35.51 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.456 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 75.7 t -72.06 -40.14 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.85 -34.16 77.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.15 34.98 2.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.464 HD11 ' CG1' ' A' ' 60' ' ' ILE . 85.4 mt -126.03 165.91 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.0 m -86.53 139.27 31.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 p -133.01 139.47 47.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 40.2 m-85 -156.28 127.54 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.5 p -85.72 109.27 18.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.794 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 63.5 m-85 -116.1 125.25 52.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.93 144.28 15.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.31 -43.38 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.34 166.67 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.46 -42.22 98.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -69.78 -42.2 74.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 22.6 m -89.12 113.97 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -138.18 104.73 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 3.8 p90 -95.89 165.67 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.466 HG22 ' CD2' ' A' ' 82' ' ' HIS . 7.7 p -113.15 131.49 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.413 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 38.9 mtp -121.58 163.46 18.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.2 pt -143.76 144.62 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.519 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 8.9 m-85 -127.5 169.54 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 112' ' ' ALA . 33.4 mttt -93.44 173.41 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.74 -48.13 75.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.57 -35.6 39.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.554 ' CE1' HG22 ' A' ' 66' ' ' ILE . 56.9 m-85 -94.45 18.0 12.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 108' ' ' LYS . . . -70.89 144.66 90.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.519 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.1 Cg_endo -69.78 156.94 62.01 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 m -95.82 163.07 13.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -54.47 -67.29 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -50.96 -46.48 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.475 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 55.6 mt-10 -58.02 -42.92 86.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.9 mt -55.34 -54.09 48.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.27 -48.48 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.7 p -71.09 -24.88 62.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 4.6 m-85 -68.0 -33.74 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 46' ' ' VAL . 38.2 mttm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.815 0.341 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' LYS . 92.6 t -36.08 -51.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -51.14 -54.41 25.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 65.8 t80 -56.06 -50.59 70.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -46.29 -50.24 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -56.78 -55.12 38.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 ttt85 -49.91 -46.47 51.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 29.2 mmt -59.0 -43.97 91.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.0 -46.19 71.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -67.59 -47.21 70.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -58.07 -59.42 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.6 t -48.87 -59.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 t -48.79 -59.63 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -42.62 -43.78 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 2.5 t80 -64.73 -48.47 74.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.7 mt -48.8 -53.77 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.77 -38.93 86.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.96 117.05 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -83.57 -48.07 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.06 -39.73 9.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -88.02 121.62 30.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.555 HG23 ' CZ ' ' A' ' 111' ' ' PHE . 25.3 pt -94.13 -31.87 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.451 ' N ' HG13 ' A' ' 66' ' ' ILE . 13.3 ptpt -139.59 168.48 19.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 106' ' ' ILE . 38.6 tttp -148.76 122.72 9.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -95.31 116.42 28.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.45 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 63.1 m-85 -85.8 168.9 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -117.8 138.54 25.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HB3' ' NH2' ' A' ' 78' ' ' ARG . 53.2 Cg_endo -69.78 80.7 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -76.68 -42.26 42.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.468 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 2.4 m120 -128.04 177.18 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -87.51 -36.04 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLU . 20.7 mm -89.1 -36.55 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.566 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 22.3 mt-10 -38.12 -35.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -53.92 -55.46 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.8 t -63.63 -48.4 77.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.416 ' CD1' ' HD3' ' A' ' 45' ' ' LYS . 48.1 mt -51.01 -56.58 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.464 HD23 ' CG1' ' A' ' 104' ' ' VAL . 31.2 tp -54.36 -43.02 70.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.4 ' NE2' ' OG ' ' A' ' 94' ' ' SER . 2.7 m-70 -52.56 -44.61 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.62 -48.81 77.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.6 t -59.5 -40.3 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.4 t -67.99 -61.03 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -46.85 -33.15 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.6 t -76.91 -39.86 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.33 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.48 34.19 2.14 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -127.24 171.05 11.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.4 m -100.3 121.18 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t -115.85 153.76 30.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 37.2 m-85 -157.34 134.72 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.4 ' OG ' ' NE2' ' A' ' 82' ' ' HIS . 11.9 m -93.07 106.09 18.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.586 ' O ' ' CD2' ' A' ' 103' ' ' TYR . 48.7 m-85 -111.54 124.96 53.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.47 132.46 5.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -73.6 -36.64 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.14 155.29 34.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -53.41 -41.63 66.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.53 -41.97 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 22.8 m -88.02 108.63 19.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.46 ' O ' ' NE ' ' A' ' 78' ' ' ARG . 30.1 mtm180 -136.96 104.59 5.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 95' ' ' PHE . 46.7 p90 -98.26 165.71 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.464 ' CG1' HD23 ' A' ' 81' ' ' LEU . 7.4 p -118.93 143.57 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.421 ' N ' HG23 ' A' ' 104' ' ' VAL . 42.5 mtp -126.93 159.86 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 68' ' ' LYS . 10.7 pt -137.89 147.64 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 10.6 m-85 -132.23 166.61 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 112' ' ' ALA . 29.0 mttt -88.96 172.91 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -63.82 -52.08 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -74.68 -40.86 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 66' ' ' ILE . 81.2 m-85 -90.19 17.97 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 108' ' ' LYS . . . -71.08 144.83 90.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.703 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.2 Cg_endo -69.78 159.17 54.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.472 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 2.2 m -99.58 164.16 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -54.7 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -52.32 -46.39 66.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.472 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 6.3 mm-40 -57.54 -42.55 83.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.553 HD22 ' CE2' ' A' ' 93' ' ' PHE . 28.6 mt -56.17 -51.32 68.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -55.84 -41.06 73.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 m -71.28 -40.02 71.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 23.4 m-85 -54.61 -42.99 71.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.852 0.358 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LYS . 87.6 t -34.05 -63.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.9 -56.09 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 77' ' ' GLU . 85.4 t80 -45.93 -62.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -43.06 -46.86 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -51.88 -58.64 5.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -47.24 -51.99 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.462 ' SD ' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -51.22 -46.89 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -53.74 -47.01 71.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -48.49 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -58.12 -62.44 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.9 t -46.49 -57.37 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 t -45.15 -58.88 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -47.82 -44.62 28.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -63.56 -40.91 98.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.526 ' CG1' ' CD1' ' A' ' 90' ' ' LEU . 63.1 mt -54.01 -54.66 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -58.17 -44.59 88.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -59.23 104.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -73.63 -44.82 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.19 -39.63 5.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -87.56 131.75 34.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.503 HG23 ' CG ' ' A' ' 111' ' ' PHE . 7.3 pt -111.74 -24.79 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' HG13 ' A' ' 66' ' ' ILE . 20.9 pttt -143.61 155.6 44.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -147.0 135.72 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.482 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 5.3 ttpt -106.82 131.12 54.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -103.62 168.52 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -109.53 138.37 20.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.84 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.3 mtm -95.48 -42.77 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.471 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 7.4 m-20 -128.36 177.31 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -90.13 -34.23 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.8 mm -90.43 -34.94 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.564 ' HG2' ' CE2' ' A' ' 48' ' ' PHE . 22.3 mt-10 -39.8 -31.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -58.94 -53.94 52.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.2 t -62.68 -46.52 87.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.1 mt -54.22 -57.77 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD23 ' CG1' ' A' ' 104' ' ' VAL . 21.2 tp -51.81 -50.57 60.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -44.7 -55.8 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -51.91 -52.32 50.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.78 -41.17 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.72 -61.1 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.68 -54.87 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -56.72 -40.5 70.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.62 -30.52 71.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.98 30.69 5.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.526 ' CD1' ' CG1' ' A' ' 60' ' ' ILE . 81.2 mt -127.07 167.67 15.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.2 m -89.1 144.64 25.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.1 p -132.51 133.41 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 32.2 m-85 -150.86 131.15 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.4 m -96.84 118.95 34.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 122' ' ' ARG . 49.2 m-85 -127.84 125.13 39.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.47 138.6 9.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.13 -44.68 62.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -115.21 140.52 49.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -46.8 -46.52 20.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.12 -42.21 99.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.62 105.19 17.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -130.26 104.83 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 4.2 p90 -94.86 165.72 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.458 ' CG1' HD23 ' A' ' 81' ' ' LEU . 7.5 p -113.15 134.79 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.482 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 30.4 mtp -117.13 158.96 23.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.8 pt -140.35 147.1 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.51 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 14.7 m-85 -134.19 168.24 19.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 112' ' ' ALA . 33.4 mttt -89.75 174.04 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -67.06 -53.72 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.39 -36.03 63.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.503 ' CG ' HG23 ' A' ' 66' ' ' ILE . 50.5 m-85 -94.12 18.0 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 108' ' ' LYS . . . -70.6 143.64 90.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.51 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.3 Cg_endo -69.68 160.08 51.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -97.7 171.83 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.89 -67.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -54.23 -44.33 71.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 6.3 mm-40 -59.52 -42.17 91.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.551 HD12 ' CZ ' ' A' ' 93' ' ' PHE . 19.3 mt -56.39 -53.92 51.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -54.54 -42.23 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.5 m -75.72 -17.29 59.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 7.9 m-85 -82.15 -28.15 32.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.574 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 4.6 ptp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' VAL . 8.8 mptt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' GLU . 55.6 t -34.29 -64.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' VAL . 6.3 mm-40 -34.64 -55.81 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 63.6 t80 -64.27 -48.5 75.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -48.09 -68.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -51.17 -38.66 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -59.76 -46.68 88.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 29.0 mmt -63.34 -41.34 98.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -55.27 -46.84 76.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -62.42 -48.28 80.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.97 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.6 t -39.88 -56.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 t -48.19 -57.56 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -46.91 -43.42 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.14 -40.17 95.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.419 ' CG1' HD13 ' A' ' 90' ' ' LEU . 85.9 mt -55.64 -51.94 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -60.2 -42.89 96.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' NE2' ' A' ' 65' ' ' GLN . 2.0 t70 -59.98 121.37 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.8 t -82.84 -55.73 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.73 -40.03 2.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.446 ' NE2' ' CG ' ' A' ' 62' ' ' ASP . 37.0 mt-30 -77.54 119.27 20.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.564 HG21 ' CE1' ' A' ' 111' ' ' PHE . 23.6 pt -98.44 -22.59 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -147.64 170.6 17.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.486 ' HB3' ' CG1' ' A' ' 106' ' ' ILE . 10.5 tptt -143.12 124.71 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -97.58 103.12 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.555 ' CD2' HD23 ' A' ' 81' ' ' LEU . 31.5 m-85 -82.71 145.78 29.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -92.28 138.54 24.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 89.92 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.634 2.223 . . . . 0.0 112.328 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -86.75 -41.93 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.4 ' O ' ' OE1' ' A' ' 77' ' ' GLU . 2.4 m-80 -127.73 177.12 7.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -90.84 -28.86 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.1 mm -93.06 -14.97 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -43.71 -25.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.553 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 8.6 tpp85 -64.72 -67.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.5 t -50.43 -47.14 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.8 mt -62.21 -68.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.555 HD23 ' CD2' ' A' ' 70' ' ' PHE . 49.8 tp -46.17 -54.32 8.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.533 ' CD2' ' HG3' ' A' ' 78' ' ' ARG . 8.0 m-70 -45.16 -51.12 10.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -53.56 -49.85 66.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.06 -31.57 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.76 -53.33 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 87' ' ' VAL . 3.6 pt-20 -57.7 -35.05 70.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.442 ' N ' ' HG2' ' A' ' 86' ' ' GLU . 91.0 t -69.82 -39.61 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.74 -32.16 72.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.33 36.09 2.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.419 HD13 ' CG1' ' A' ' 60' ' ' ILE . 81.6 mt -126.96 169.1 13.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.6 m -93.73 136.46 33.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.5 p -125.87 143.53 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.548 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 12.1 m-85 -151.84 149.14 28.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.4 p -106.53 111.2 23.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 92.7 m-85 -117.46 125.7 51.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.51 134.83 7.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -73.53 -38.94 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -132.59 161.78 32.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -52.68 -46.99 67.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.8 -42.15 64.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 7.3 t -86.47 103.65 15.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -139.33 125.99 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -127.05 165.57 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.465 ' CG1' HD21 ' A' ' 81' ' ' LEU . 14.4 p -106.07 146.05 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.0 mtp -138.21 155.23 48.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.486 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 7.1 pt -137.27 144.79 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.514 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 27.7 m-85 -125.79 171.61 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 112' ' ' ALA . 30.1 mttt -93.37 171.8 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.82 -50.56 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.65 -38.6 47.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 66' ' ' ILE . 41.4 m-85 -91.06 17.95 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 108' ' ' LYS . . . -70.89 144.58 90.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.1 Cg_endo -69.76 151.77 69.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.6 m -93.79 165.59 12.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.45 -66.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -54.22 -44.58 71.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 15.5 mm-40 -59.32 -36.14 75.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.87 -50.27 69.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.43 -42.7 74.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.1 p -73.45 -40.6 64.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 10.6 m-85 -51.84 -41.29 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 46' ' ' VAL . 36.4 mttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' LYS . 92.1 t -33.76 -60.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.47 -59.78 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 58.8 t80 -51.07 -57.49 8.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -41.87 -60.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -45.34 -56.21 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.423 ' CG ' ' HE2' ' A' ' 52' ' ' MET . 63.6 ttt-85 -48.02 -58.46 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.532 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -48.05 -45.44 32.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -53.88 -43.94 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -68.53 -48.8 63.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.39 -57.08 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 90' ' ' LEU . 70.7 t -49.74 -57.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 t -47.65 -58.98 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -45.58 -42.53 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 108' ' ' LYS . 2.5 t80 -65.06 -39.94 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.421 HG12 ' CD1' ' A' ' 90' ' ' LEU . 91.2 mt -56.1 -48.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -65.02 -39.4 93.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.41 105.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 m -71.61 -54.06 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -42.65 -39.31 3.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -83.77 127.23 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.545 HG21 ' CD2' ' A' ' 111' ' ' PHE . 8.2 pt -108.95 -24.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' N ' HG13 ' A' ' 66' ' ' ILE . 16.8 pttp -142.08 158.26 43.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -143.79 137.52 28.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -101.01 128.92 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.479 ' CD2' HD22 ' A' ' 81' ' ' LEU . 22.2 m-85 -109.88 115.98 30.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.425 ' CD ' ' HD2' ' A' ' 72' ' ' PRO . 14.6 tm0? -63.18 138.21 97.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.425 ' HD2' ' CD ' ' A' ' 71' ' ' GLN . 53.5 Cg_endo -69.79 83.65 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.5 mpp? -75.86 -42.39 49.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.23 177.88 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -93.22 -22.53 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 78' ' ' ARG . 34.3 mm -96.27 -30.31 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.0 pt-20 -37.82 -27.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -60.8 -53.07 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 m -69.38 -44.19 72.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mt -59.89 -61.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.479 HD22 ' CD2' ' A' ' 70' ' ' PHE . 16.2 tp -51.92 -43.98 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 5.3 m-70 -52.25 -48.94 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.28 -45.42 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.74 -40.71 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.1 t -67.97 -63.29 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 6.5 pt-20 -43.29 -36.05 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 98.2 t -72.09 -41.46 67.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.6 -30.73 71.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.148 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.92 37.46 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' CD1' HG11 ' A' ' 56' ' ' VAL . 84.6 mt -126.91 166.78 16.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.2 m -96.12 147.72 23.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.2 m -148.63 151.47 35.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 45.0 m-85 -154.19 167.43 29.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 p -106.61 113.69 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 28.6 m-85 -134.9 124.87 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.11 153.84 22.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -82.22 -43.41 17.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.58 139.17 51.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -44.3 -43.1 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.58 -42.27 82.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 59.6 m -99.12 110.04 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -126.61 108.74 11.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.413 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 8.5 p90 -96.2 165.62 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.7 p -116.94 134.98 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.0 mmm -117.44 162.7 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 pt -138.06 143.07 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.484 ' CD2' ' HD3' ' A' ' 113' ' ' PRO . 4.4 m-85 -126.23 163.72 22.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 59' ' ' PHE . 35.2 mttt -88.56 173.03 8.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -63.79 -52.56 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -75.64 -39.84 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.545 ' CD2' HG21 ' A' ' 66' ' ' ILE . 28.6 m-85 -87.59 17.92 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.71 144.46 91.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.554 0.692 . . . . 0.0 111.155 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.484 ' HD3' ' CD2' ' A' ' 107' ' ' PHE . 54.3 Cg_endo -69.75 160.01 51.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.418 ' HB2' ' CD ' ' A' ' 117' ' ' GLU . 2.4 m -94.7 161.05 14.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -54.16 -67.37 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -52.75 -46.44 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.418 ' CD ' ' HB2' ' A' ' 114' ' ' SER . 77.8 mt-10 -57.05 -42.38 80.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.548 HD11 ' CZ ' ' A' ' 93' ' ' PHE . 30.6 mt -56.83 -51.39 69.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -54.79 -42.78 72.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -69.54 -42.45 74.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 20.2 m-85 -51.2 -47.08 62.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' VAL . 62.4 mttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.1 t -34.34 -52.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -54.16 -56.45 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 62.6 t80 -55.58 -50.57 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -47.98 -57.09 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -50.68 -54.82 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.8 ttt85 -48.17 -47.73 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.9 mmt -59.53 -43.34 93.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -53.82 -47.77 70.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -61.74 -48.68 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -60.13 -60.9 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.7 t -41.82 -58.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -47.75 -61.05 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -44.04 -41.58 5.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.7 t80 -68.1 -43.45 78.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.443 ' CG1' HD12 ' A' ' 90' ' ' LEU . 71.8 mt -53.5 -53.36 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.86 -42.53 98.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.81 105.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -73.73 -44.58 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.74 -40.71 33.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.23 117.96 23.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 110.942 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.582 ' CG2' ' CE2' ' A' ' 111' ' ' PHE . 27.7 pt -96.58 -31.04 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.431 ' N ' HG13 ' A' ' 66' ' ' ILE . 39.4 pttt -136.3 153.38 51.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.465 ' HB3' ' CG1' ' A' ' 106' ' ' ILE . 30.6 tttt -131.42 140.02 49.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -113.17 110.76 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -82.48 168.99 16.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' SD ' ' A' ' 73' ' ' MET . 38.2 mt-30 -110.55 138.8 21.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 92.28 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 2.2 mpp? -95.7 -43.98 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.405 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 85.0 m-20 -129.23 177.66 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -91.89 -34.09 14.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' GLU . 21.4 mm -84.72 -23.14 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 17.7 pt-20 -37.55 -34.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 82' ' ' HIS . 2.9 tpp180 -57.12 -66.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.8 m -51.38 -51.15 57.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 57.5 mt -57.55 -67.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.7 tp -46.31 -52.29 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.474 ' CD2' ' HG3' ' A' ' 78' ' ' ARG . 5.5 m-70 -48.3 -43.89 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -59.08 -48.64 80.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.35 -34.07 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.5 t -69.62 -59.45 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 1.2 pp20? -48.73 -36.26 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.457 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 78.6 t -70.42 -41.88 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.11 -34.52 78.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.77 37.76 2.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.443 HD12 ' CG1' ' A' ' 60' ' ' ILE . 87.7 mt -127.15 163.08 24.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.0 m -83.81 146.21 28.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 p -135.84 148.15 48.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -161.33 167.11 26.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.409 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 96.1 p -119.63 128.85 54.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -142.98 124.09 14.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.89 138.61 9.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -76.86 -44.94 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -117.66 139.62 50.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -42.36 -48.62 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -42.27 92.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 42.5 t -91.46 106.96 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -133.15 108.74 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 4.0 p90 -107.57 155.19 20.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.4 p -102.46 134.45 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 68.1 mtp -119.39 164.0 16.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 7.2 pt -140.48 147.7 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -128.55 164.44 22.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -87.57 168.89 12.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -58.64 -58.91 6.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.56 -40.72 80.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.582 ' CE2' ' CG2' ' A' ' 66' ' ' ILE . 38.9 m-85 -84.95 18.0 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.92 140.14 88.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.05 54.81 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.286 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.463 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 3.2 m -94.99 164.47 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.71 -67.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -52.02 -46.92 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 64.3 mm-40 -56.79 -45.52 82.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.55 -49.18 68.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -55.48 -47.12 76.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.6 p -66.36 -42.11 88.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -50.07 -51.61 41.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 46' ' ' VAL . 31.3 mmmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 45' ' ' LYS . 96.7 t -33.46 -51.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -53.85 -57.32 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 76.7 t80 -49.8 -57.68 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -42.08 -51.36 4.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -53.57 -50.44 65.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -50.6 -52.41 39.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.535 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -53.95 -47.19 71.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -50.59 -47.19 58.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -64.9 -46.59 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.57 -65.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.2 t -42.99 -58.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.9 t -47.43 -54.81 10.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.26 -46.77 55.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -61.85 -38.64 88.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.455 HG12 ' CD1' ' A' ' 90' ' ' LEU . 94.0 mt -56.61 -57.38 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -56.82 -39.01 73.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.73 112.92 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' GLY . 52.0 m -70.59 -65.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' SER . . . -38.43 -38.39 0.63 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -74.27 116.84 15.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 111' ' ' PHE . 22.5 pt -103.32 -27.88 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -145.65 161.68 39.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -145.57 132.69 20.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.47 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 28.3 tttt -102.99 143.9 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -119.83 168.04 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -113.88 138.28 22.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.6 Cg_endo -69.77 92.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 11.4 mtm -91.1 -42.95 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -128.66 175.6 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -27.78 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' GLU . 19.5 mm -89.79 -30.05 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.5 pp20? -38.09 -32.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.409 ' NH2' ' HB2' ' A' ' 94' ' ' SER . 0.3 OUTLIER -58.21 -67.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.5 t -49.0 -46.98 44.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.6 mt -58.27 -68.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.404 HD22 ' CG1' ' A' ' 104' ' ' VAL . 38.9 tp -47.38 -45.8 25.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -55.57 -43.3 75.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -62.51 -48.18 80.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.66 -34.14 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.41 -61.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 1.0 OUTLIER -46.34 -35.45 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 76.7 t -73.98 -41.1 52.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.35 75.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.58 37.39 2.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 60' ' ' ILE . 82.9 mt -125.31 165.61 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.7 m -83.02 136.41 34.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.0 p -129.57 137.77 50.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.569 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 23.3 m-85 -144.92 156.49 44.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.409 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -112.67 107.28 15.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 54.8 m-85 -124.27 124.05 41.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 102' ' ' ARG . . . -138.19 156.78 24.11 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -89.68 -29.59 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -125.49 133.21 52.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.58 -40.88 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -77.49 -42.33 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 56.9 m -110.12 111.75 23.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.474 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 7.7 ptm180 -138.48 133.95 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 3.5 p90 -93.38 165.69 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.407 ' HB ' ' CD ' ' A' ' 78' ' ' ARG . 13.8 p -115.18 136.27 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.47 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 20.9 mtp -123.68 163.47 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.4 pt -142.08 146.02 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.514 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 13.4 m-85 -129.51 165.06 22.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 112' ' ' ALA . 43.2 mttt -87.48 168.51 13.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -63.48 -48.21 78.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.39 -40.45 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.571 ' CE1' HG23 ' A' ' 66' ' ' ILE . 54.3 m-85 -90.39 17.98 6.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 108' ' ' LYS . . . -70.61 144.57 91.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.549 0.69 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.0 Cg_endo -69.71 150.35 68.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 m -89.8 166.02 13.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -55.2 -67.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -52.44 -45.21 65.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 5.3 mm-40 -59.79 -39.95 86.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.499 HD12 ' CZ ' ' A' ' 93' ' ' PHE . 21.4 mt -58.29 -49.25 77.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -57.55 -45.29 85.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.5 p -69.42 -36.42 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 12.4 m-85 -56.41 -48.02 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.1 t -38.44 -51.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -53.42 -54.93 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 90.8 t80 -54.59 -49.14 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -47.33 -55.4 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -52.63 -50.14 63.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -50.07 -49.12 52.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.46 ' HE1' ' N ' ' A' ' 52' ' ' MET . 31.9 mmt -57.77 -41.84 82.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.48 -46.33 76.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -65.56 -49.96 66.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -58.95 -63.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.3 t -44.17 -61.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -45.86 -60.53 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -41.01 -45.62 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.38 -42.46 98.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.3 mt -53.02 -55.09 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -57.84 -43.75 86.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -58.37 111.54 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -76.49 -56.35 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.29 -41.31 2.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -78.46 125.82 29.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.568 HG22 ' CE2' ' A' ' 111' ' ' PHE . 11.2 pt -107.53 -30.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.463 ' N ' HG13 ' A' ' 66' ' ' ILE . 50.0 pttt -138.86 153.21 48.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.951 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -143.32 136.91 28.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -107.16 147.25 30.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -119.14 169.25 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 73' ' ' MET . 21.3 mt-30 -113.56 138.94 22.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.574 0.702 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 79.93 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.7 mpp? -74.88 -42.48 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.421 ' C ' ' HE3' ' A' ' 75' ' ' LYS . 2.7 m-80 -128.36 177.85 6.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HE3' ' N ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -93.22 -23.31 18.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' ARG . 47.6 mm -96.03 -29.79 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.0 pt-20 -38.52 -29.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 76' ' ' ILE . 14.0 mmm-85 -58.69 -55.78 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.3 t -65.29 -41.57 94.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.0 mt -61.37 -63.04 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.4 tp -52.91 -41.27 64.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 11.6 m-70 -55.19 -45.7 75.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -62.03 -43.87 97.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.93 -38.85 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.5 t -69.31 -59.98 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.9 pt-20 -46.91 -36.4 7.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.457 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 95.6 t -72.6 -42.26 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.83 -31.58 72.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.81 39.18 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 99.1 mt -126.97 161.57 28.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.902 0.382 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.6 m -92.23 139.89 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -132.33 159.56 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.562 ' CE2' HD22 ' A' ' 118' ' ' LEU . 23.5 m-85 -159.55 169.43 23.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.3 t -123.0 126.41 47.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.602 ' O ' ' CE2' ' A' ' 103' ' ' TYR . 49.0 m-85 -146.68 123.92 11.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.28 153.13 22.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.58 -40.02 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -124.3 150.65 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -48.77 -41.43 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.17 -41.85 76.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 59.4 m -94.16 111.78 23.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -134.45 111.04 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 95' ' ' PHE . 5.0 p90 -97.27 162.13 13.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.0 p -112.92 138.85 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 54.9 mtp -125.53 161.03 28.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 pt -140.89 144.18 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.518 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 46.9 m-85 -132.78 162.27 31.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 112' ' ' ALA . 37.3 mttt -81.2 174.07 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -67.46 -53.23 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.59 -38.92 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.568 ' CE2' HG22 ' A' ' 66' ' ' ILE . 49.4 m-85 -90.69 17.97 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 108' ' ' LYS . . . -70.42 144.79 92.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.709 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.518 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.6 Cg_endo -69.82 158.29 57.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 m -101.67 170.85 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.41 -67.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.29 -48.94 70.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 44.8 mt-10 -55.19 -41.24 71.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.562 HD22 ' CE2' ' A' ' 93' ' ' PHE . 19.0 mt -57.08 -55.18 38.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -53.66 -36.89 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.2 m -76.83 -33.96 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 15.0 m-85 -65.19 -44.63 87.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.57 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.527 ' NZ ' ' ND2' ' A' ' 74' ' ' ASN . 22.1 mmtt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . 90.3 t -34.67 -65.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' VAL . 18.2 mt-10 -36.85 -60.9 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.622 ' CE1' ' CD ' ' A' ' 77' ' ' GLU . 86.2 t80 -51.93 -51.45 56.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -44.54 -52.09 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -56.12 -54.64 42.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -47.32 -46.67 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.4 mmt -61.1 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -51.83 -47.23 64.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -58.02 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.02 -47.78 44.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.9 t -54.37 -63.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 1.6 t -46.77 -55.06 8.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -46.19 -45.62 16.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -62.86 -41.85 99.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' ' 57' ' ' SER . 43.2 mt -54.28 -54.26 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -59.68 -40.75 88.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.29 113.21 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.0 p -81.96 -47.17 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.36 -40.34 2.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.72 123.2 34.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.555 HG23 ' CZ ' ' A' ' 111' ' ' PHE . 14.9 pt -96.75 -23.2 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -143.91 160.36 40.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -139.76 122.7 16.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -98.98 113.54 25.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.564 ' CD2' HD21 ' A' ' 81' ' ' LEU . 49.0 m-85 -85.37 168.49 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -116.33 138.66 24.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.9 Cg_endo -69.78 81.43 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -78.18 -42.13 32.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.527 ' ND2' ' NZ ' ' A' ' 45' ' ' LYS . 12.7 t-20 -128.04 175.37 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.505 ' HG2' ' N ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -86.9 -36.03 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.505 ' N ' ' HG2' ' A' ' 75' ' ' LYS . 10.3 mm -88.9 -29.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.622 ' CD ' ' CE1' ' A' ' 48' ' ' PHE . 24.9 mt-10 -43.75 -28.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -60.61 -57.48 12.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 t -60.0 -45.42 92.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.472 HD12 ' CD ' ' A' ' 45' ' ' LYS . 17.7 mt -55.37 -62.54 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.564 HD21 ' CD2' ' A' ' 70' ' ' PHE . 25.2 tp -51.59 -44.49 62.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 30.9 m-70 -50.12 -53.96 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -55.47 -45.05 76.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.2 t -58.97 -33.81 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 83.2 t -71.32 -57.58 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.27 -30.88 19.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.3 t -79.7 -39.41 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.8 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.1 33.37 3.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.2 mt -124.35 169.77 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.7 m -89.08 130.77 35.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.2 p -117.35 141.17 48.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.52 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 24.7 m-85 -155.07 125.21 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.4 ' OG ' ' NE2' ' A' ' 82' ' ' HIS . 63.2 m -91.31 114.9 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.54 ' O ' ' CZ ' ' A' ' 103' ' ' TYR . 44.9 m-85 -119.28 125.13 48.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.09 130.15 4.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.3 -29.21 61.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.26 177.98 6.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.06 -46.5 9.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -61.34 -41.98 97.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 77.3 m -106.35 115.86 30.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -130.66 105.18 7.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 36.4 p90 -90.07 165.38 14.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 70' ' ' PHE . 7.4 p -118.81 136.47 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.423 ' N ' HG23 ' A' ' 104' ' ' VAL . 53.0 mtp -123.86 158.91 30.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.7 pt -141.24 147.86 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.5 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 10.8 m-85 -129.66 162.35 28.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -81.55 170.94 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -60.48 -53.57 55.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.48 -40.11 62.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 66' ' ' ILE . 62.0 m-85 -88.26 17.75 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.97 144.74 90.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.5 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.9 Cg_endo -69.7 155.44 66.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.385 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -100.53 165.94 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -53.42 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.27 -43.48 67.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.599 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 16.5 mm-40 -61.25 -36.66 80.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.52 HD23 ' CZ ' ' A' ' 93' ' ' PHE . 24.0 mt -62.41 -48.96 77.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -58.96 -40.36 84.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -72.67 -40.99 65.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 18.2 m-85 -53.78 -44.84 70.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' VAL . 44.0 mttt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.817 0.341 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.0 t -33.92 -58.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -54.03 -57.18 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 55.2 t80 -49.49 -58.01 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -43.45 -56.72 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -46.51 -54.48 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -50.38 -57.29 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.466 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -48.13 -43.74 31.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -56.1 -47.96 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -67.02 -47.99 69.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.4 -55.09 37.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.9 t -51.37 -61.05 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 t -46.5 -61.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -43.44 -41.12 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -68.18 -44.38 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 90' ' ' LEU . 84.7 mt -53.93 -53.66 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -60.14 -44.32 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.46 111.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.1 p -77.4 -27.98 52.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.69 -34.26 86.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -86.57 120.49 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.94 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.568 HG23 ' CE2' ' A' ' 111' ' ' PHE . 11.9 pt -101.28 -27.87 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 66' ' ' ILE . 18.6 pttm -141.98 146.75 35.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.468 ' HB3' ' CG1' ' A' ' 106' ' ' ILE . 43.3 tttm -128.13 118.57 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -95.71 134.8 38.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.465 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 90.2 m-85 -116.75 140.05 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.443 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 38.5 tt0 -84.19 138.51 39.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.76 81.5 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.1 mtm -75.4 -43.64 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.497 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 21.7 t30 -129.1 177.16 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -87.08 -36.87 17.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 77' ' ' GLU . 28.4 mm -88.62 -39.15 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.497 ' OE2' ' CB ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -36.82 -39.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' CG ' ' HB ' ' A' ' 104' ' ' VAL . 10.1 ttm180 -56.41 -57.83 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -53.5 -52.97 57.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.2 mt -50.66 -47.3 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 104' ' ' VAL . 26.2 tp -58.69 -41.65 86.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.426 ' NE2' HG22 ' A' ' 104' ' ' VAL . 71.2 m-70 -55.8 -47.78 76.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.73 -47.23 85.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.84 -37.34 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.27 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 4.9 pt-20 -46.2 -33.36 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.426 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 90.4 t -74.85 -40.03 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.06 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.38 36.92 2.19 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.441 ' CD1' HG12 ' A' ' 60' ' ' ILE . 69.4 mt -127.07 167.59 15.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 85.7 m -90.59 125.88 35.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 p -112.99 151.98 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.539 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 18.5 m-85 -161.73 162.04 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.439 ' O ' ' NH1' ' A' ' 122' ' ' ARG . 45.8 m -123.45 124.44 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.562 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 36.9 m-85 -134.79 125.1 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.05 147.88 19.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -79.31 -44.69 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 101' ' ' CYS . 7.7 t0 -116.66 142.38 46.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -44.25 -47.98 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -65.58 -42.46 91.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' ASP . 9.6 t -95.51 105.92 17.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -130.68 109.93 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 20.8 p90 -94.41 165.82 12.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.468 ' CG1' HD23 ' A' ' 81' ' ' LEU . 12.3 p -117.79 135.16 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 70.2 mtp -125.93 161.85 26.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 11.5 pt -140.18 149.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.514 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 5.9 m-85 -129.96 167.92 17.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 112' ' ' ALA . 44.1 mttt -90.81 165.27 13.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -58.08 -43.36 86.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.593 ' OE1' ' CZ ' ' A' ' 111' ' ' PHE . 0.2 OUTLIER -83.28 -39.41 20.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.593 ' CZ ' ' OE1' ' A' ' 110' ' ' GLU . 37.6 m-85 -90.44 17.98 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 108' ' ' LYS . . . -70.42 145.08 92.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.7 Cg_endo -69.81 154.92 66.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -89.2 164.44 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -67.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -52.11 -44.25 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.492 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 70.6 mm-40 -60.56 -40.28 91.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.539 HD23 ' CZ ' ' A' ' 93' ' ' PHE . 19.6 mt -57.47 -53.78 54.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -52.93 -50.0 64.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.9 m -63.67 -41.02 98.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.492 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 12.4 m-85 -53.52 -39.63 64.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 94' ' ' SER . 68.7 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' VAL . 4.0 mptt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.349 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 91.1 t -35.12 -67.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -42.4 -57.79 2.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 33.5 t80 -48.76 -62.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.456 ' HD3' ' CG2' ' A' ' 80' ' ' ILE . 0.9 OUTLIER -36.02 -56.15 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -50.69 -52.46 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -56.78 -46.83 81.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 27.3 mmt -62.11 -39.73 93.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 13.3 mm-40 -64.24 -54.49 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -56.72 -44.98 82.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.58 -59.77 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.7 t -45.43 -59.26 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -43.53 -56.0 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -48.74 -41.71 32.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.3 t80 -68.76 -43.09 76.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 84.7 mt -55.28 -52.67 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -59.74 -45.51 92.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.81 106.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.6 p -76.34 -23.24 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.35 -36.71 93.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -90.66 119.16 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.568 HG23 ' CE2' ' A' ' 111' ' ' PHE . 23.4 pt -95.22 -27.95 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.401 ' N ' HG13 ' A' ' 66' ' ' ILE . 12.7 ptpt -143.56 161.66 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 26.4 ttpt -149.69 140.79 22.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.562 ' HE3' ' CD2' ' A' ' 103' ' ' TYR . 73.0 tttt -106.51 137.61 44.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.456 ' CZ ' ' HE3' ' A' ' 68' ' ' LYS . 57.6 m-85 -114.66 118.39 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -63.13 139.03 97.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 79.98 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 21.3 mtm -76.75 -42.36 41.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -128.06 177.57 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -93.08 -29.92 15.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.3 mm -95.8 -24.31 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.9 pt-20 -42.61 -27.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -64.88 -55.29 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.3 t -57.6 -41.92 82.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.456 ' CG2' ' HD3' ' A' ' 49' ' ' ARG . 41.8 mt -63.28 -56.51 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 70' ' ' PHE . 38.6 tp -56.5 -42.89 79.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -53.23 -54.54 34.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.42 -44.05 72.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.441 ' CG1' ' HA ' ' A' ' 53' ' ' GLU . 87.2 t -60.13 -38.52 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.1 t -69.6 -60.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.7 pt-20 -45.8 -35.26 4.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.434 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 95.0 t -74.52 -38.97 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.08 -31.91 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.27 35.01 2.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.8 mt -127.02 168.09 15.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.0 m -100.65 136.51 40.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 1.1 t -127.96 159.0 36.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 46.0 m-85 -163.01 160.56 24.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -115.17 119.86 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.599 ' O ' ' CE2' ' A' ' 103' ' ' TYR . 31.0 m-85 -136.45 123.71 21.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.26 153.56 22.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -76.39 -35.38 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -125.77 137.17 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -42.76 -37.18 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -67.83 -42.25 81.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 86.3 m -102.46 117.85 35.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -141.94 108.91 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 95' ' ' PHE . 21.4 p90 -90.03 165.93 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' A' ' 70' ' ' PHE . 7.4 p -115.3 112.01 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.2 mmm -97.36 163.16 13.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.6 pt -143.73 137.57 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.518 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 9.4 m-85 -121.66 166.48 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -87.78 173.85 8.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -63.47 -49.08 75.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -79.22 -38.66 35.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.568 ' CE2' HG23 ' A' ' 66' ' ' ILE . 63.3 m-85 -89.47 17.94 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.82 144.63 90.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 0.0 111.153 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.518 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.5 Cg_endo -69.77 152.1 69.19 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.719 2.28 . . . . 0.0 112.297 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.6 m -92.83 166.36 12.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -55.78 -67.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -52.89 -41.66 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 19.8 mm-40 -63.29 -38.84 92.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.64 -48.69 80.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.79 -43.33 94.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.8 p -68.91 -39.22 79.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.539 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 17.6 m-85 -56.34 -44.7 80.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' CG ' HD11 ' A' ' 80' ' ' ILE . 3.4 mptt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 t -44.71 -68.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -45.49 -47.02 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -56.17 -51.68 67.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -48.46 -53.1 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -51.86 -49.87 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -55.48 -43.11 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.6 mmt -63.18 -44.86 94.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -53.95 -45.39 71.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.489 ' C ' ' CD ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -63.52 -58.24 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -49.3 -49.46 43.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -55.65 -61.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 t -44.41 -56.82 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -46.68 -46.53 20.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.8 t80 -64.3 -36.97 85.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.1 mt -56.06 -56.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -58.54 -44.63 89.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.99 120.48 6.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.4 p -87.83 -48.17 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.42 -39.7 4.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -86.9 131.58 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.608 ' CG2' ' CE2' ' A' ' 111' ' ' PHE . 11.9 pt -106.34 -22.95 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -147.07 161.99 39.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.45 ' HB3' ' CG1' ' A' ' 106' ' ' ILE . 63.4 tttt -136.22 129.45 31.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -103.61 121.28 42.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -100.82 158.23 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -100.01 137.95 20.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.727 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 80.73 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.1 mtm -83.01 -42.84 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -128.59 158.16 39.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -76.92 -33.96 57.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.0 mm -91.12 -15.81 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.96 -37.31 63.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.593 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 4.9 mtm105 -59.98 -44.48 94.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -63.58 -55.46 23.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.469 HD11 ' CG ' ' A' ' 45' ' ' LYS . 52.8 mt -54.39 -55.5 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 tp -59.08 -37.83 78.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 9.2 m-70 -55.55 -44.84 77.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.88 -42.43 85.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.91 -36.4 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -72.59 -62.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -46.94 -33.98 5.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.5 t -73.58 -44.26 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.57 -32.58 70.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.14 37.2 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.7 mt -127.01 170.89 11.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.2 m -91.8 140.03 30.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.5 p -130.19 142.62 50.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.563 ' CZ ' HD21 ' A' ' 118' ' ' LEU . 41.5 m-85 -157.45 135.24 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.2 p -93.1 113.62 25.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.593 ' O ' ' CE1' ' A' ' 103' ' ' TYR . 70.6 m-85 -121.59 124.04 43.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.12 152.84 22.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -85.38 -38.06 19.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.75 137.29 53.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 99' ' ' ASP . 5.9 t0 -45.06 -42.8 8.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -66.45 -42.25 87.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 11.1 t -110.01 107.93 17.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -132.06 120.81 22.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 25.1 p90 -96.29 165.52 12.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.3 p -110.6 138.54 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.6 mtp -128.92 162.01 28.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.45 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 19.4 pt -140.54 143.38 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.75 162.37 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -82.87 174.11 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -66.33 -49.82 65.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.94 -40.4 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.608 ' CE2' ' CG2' ' A' ' 66' ' ' ILE . 58.0 m-85 -86.37 18.02 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.43 144.71 92.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 111.079 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 158.71 56.01 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 m -91.21 161.54 15.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.86 -66.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -52.09 -47.99 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.47 -43.42 79.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.563 HD21 ' CZ ' ' A' ' 93' ' ' PHE . 29.4 mt -54.91 -52.05 64.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -53.46 -48.61 68.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.7 m -67.58 -34.35 76.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -56.19 -45.36 79.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' VAL . 42.8 mttp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' LYS . 71.9 t -36.05 -68.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -45.03 -62.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 92.0 t80 -43.12 -55.34 3.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -44.68 -58.47 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -46.05 -52.01 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -50.41 -57.2 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -50.74 -46.82 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -52.27 -41.68 63.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -69.75 -47.52 62.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.96 -54.74 43.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.5 t -52.92 -59.56 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 t -43.38 -55.7 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -49.17 -44.61 42.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.525 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -65.86 -39.48 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.446 HG12 ' CD1' ' A' ' 90' ' ' LEU . 85.1 mt -54.49 -61.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -55.84 -46.47 78.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -59.88 116.12 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.2 m -76.86 -49.82 14.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.6 -40.31 2.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -81.47 116.41 21.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.575 HG21 ' CE2' ' A' ' 111' ' ' PHE . 12.0 pt -99.99 -17.73 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' HD2' ' CE ' ' A' ' 105' ' ' MET . 20.6 pttp -153.95 157.38 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' HB3' ' CG1' ' A' ' 106' ' ' ILE . 41.7 tttt -136.14 116.08 13.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.491 ' HE2' ' CG ' ' A' ' 103' ' ' TYR . 9.8 tmtt? -95.84 115.5 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.527 ' CD1' HD21 ' A' ' 81' ' ' LEU . 87.7 m-85 -93.13 147.91 22.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -85.32 138.39 36.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.57 0.7 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 80.2 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.5 mtm -83.38 -42.61 16.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -128.38 156.15 43.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -27.96 58.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.2 mm -95.71 -14.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -56.84 -36.03 69.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.606 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 4.5 mtm105 -60.3 -44.03 95.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -63.7 -57.47 9.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.8 mt -52.98 -60.12 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 70' ' ' PHE . 22.3 tp -52.4 -42.02 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 8.9 m-70 -51.85 -59.27 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -50.46 -45.19 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.0 t -58.14 -37.46 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.88 -38.7 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.23 -49.33 64.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.22 -39.87 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.91 79.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.88 37.19 2.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 60' ' ' ILE . 96.2 mt -126.51 160.47 30.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -77.61 145.12 36.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.534 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -124.73 153.99 41.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 92' ' ' SER . 32.2 m-85 -168.38 162.34 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.95 123.63 22.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.477 ' O ' ' CZ ' ' A' ' 103' ' ' TYR . 20.2 m-85 -133.14 128.31 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.09 153.62 22.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -86.39 -28.05 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -124.15 129.63 51.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -43.4 -34.38 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.51 -42.2 53.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 41.5 t -103.33 117.22 34.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -140.54 117.57 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 105' ' ' MET . 4.1 p90 -90.02 165.11 14.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.558 HG22 ' CE1' ' A' ' 82' ' ' HIS . 10.8 p -111.04 122.76 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.505 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 45.2 mtp -115.91 146.18 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.425 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 13.1 pt -124.15 146.35 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.14 166.45 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -88.93 174.24 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -68.64 -46.82 68.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.05 -40.24 28.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.575 ' CE2' HG21 ' A' ' 66' ' ' ILE . 45.6 m-85 -87.49 18.01 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.3 144.94 92.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 160.04 51.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -95.41 164.05 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.51 -66.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.5 -44.47 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 56.7 mm-40 -60.55 -36.44 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.528 HD23 ' CZ ' ' A' ' 93' ' ' PHE . 31.4 mt -62.81 -46.93 85.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -59.24 -43.2 92.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.3 m -71.36 -41.79 69.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 14.3 m-85 -51.42 -47.9 62.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mtp-105 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 46' ' ' VAL . 35.4 mmtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.843 0.354 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.463 ' C ' ' O ' ' A' ' 45' ' ' LYS . 86.3 t -33.04 -65.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -43.54 -58.75 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 77' ' ' GLU . 75.2 t80 -45.55 -55.88 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -47.21 -46.01 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -55.59 26.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -48.68 -54.51 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.419 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -50.03 -48.35 52.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.79 -48.51 59.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -65.52 -45.58 82.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -61.51 -65.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.2 t -42.39 -56.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 t -46.65 -55.92 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -48.15 -43.21 31.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.5 t80 -65.96 -42.62 89.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.426 HD12 ' CB ' ' A' ' 88' ' ' ALA . 95.9 mt -56.13 -56.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -56.15 -45.78 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.452 ' OD1' ' NE2' ' A' ' 65' ' ' GLN . 3.4 t0 -61.01 112.4 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.7 t -69.97 -49.07 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.86 -39.29 11.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.452 ' NE2' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -72.91 120.26 18.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.902 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.655 ' CG2' ' CE2' ' A' ' 111' ' ' PHE . 7.6 pt -106.0 -28.26 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 66' ' ' ILE . 11.0 ptpt -151.12 160.35 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 106' ' ' ILE . 41.4 tttp -145.62 129.23 17.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -112.75 108.42 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -82.37 169.12 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -103.17 139.76 20.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.7 mtm -95.28 -44.65 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -130.11 177.2 7.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -90.22 -35.72 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.7 mm -85.05 -37.57 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -40.61 -33.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.489 ' CD ' ' HB ' ' A' ' 104' ' ' VAL . 12.4 mmp_? -60.36 -64.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 t -47.16 -45.93 23.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.409 ' CD1' ' HD2' ' A' ' 45' ' ' LYS . 10.6 mt -59.97 -56.61 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 tp -52.12 -42.21 63.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -54.96 -53.39 56.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -53.74 -45.54 70.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.3 t -56.69 -38.5 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 90' ' ' LEU . 95.8 t -68.83 -65.56 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.9 pt-20 -41.17 -35.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.451 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 90.9 t -73.66 -41.01 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.426 ' CB ' HD12 ' A' ' 60' ' ' ILE . . . -64.29 -34.43 78.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.03 35.36 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.419 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 58.7 mt -126.93 170.01 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.7 m -95.59 120.47 35.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.1 p -108.82 146.23 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.561 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 14.4 m-85 -153.57 168.39 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.8 p -125.27 109.68 13.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CE1' ' HG2' ' A' ' 122' ' ' ARG . 95.1 m-85 -122.91 124.07 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.99 142.83 13.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -73.36 -41.78 63.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -116.26 165.89 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.94 -42.84 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -69.97 -42.14 73.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 10.5 t -96.38 115.76 27.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 61.3 mtm-85 -136.2 104.89 5.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.493 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 23.6 p90 -89.78 166.21 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.489 ' HB ' ' CD ' ' A' ' 78' ' ' ARG . 7.4 p -115.34 146.24 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.47 ' HE3' ' CZ ' ' A' ' 107' ' ' PHE . 60.9 mtp -131.56 151.27 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 68' ' ' LYS . 23.3 pt -131.88 144.61 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.515 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 8.8 m-85 -131.36 157.41 43.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -84.16 172.93 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -55.65 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -72.97 -40.48 65.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.655 ' CE2' ' CG2' ' A' ' 66' ' ' ILE . 44.4 m-85 -86.45 18.05 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.34 144.56 92.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.515 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.9 Cg_endo -69.8 159.81 52.02 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.463 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 13.8 m -95.27 162.31 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -54.64 -67.5 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -52.13 -47.67 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 5.7 mm-40 -56.54 -42.55 78.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.554 HD11 ' CZ ' ' A' ' 93' ' ' PHE . 28.0 mt -56.1 -50.07 72.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -57.44 -39.5 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.3 t -69.9 -45.7 67.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -52.9 -45.84 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.57 ' HG2' ' CE1' ' A' ' 95' ' ' PHE . 38.4 mtt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.464 ' NZ ' ' CG2' ' A' ' 76' ' ' ILE . 12.5 mtpp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.823 0.344 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.3 t -41.05 -65.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -41.28 -50.51 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' A' ' 80' ' ' ILE . 88.3 t80 -57.95 -43.43 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -52.21 -51.36 58.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -57.02 -49.55 75.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -49.16 -46.96 46.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.1 mmt -60.84 -41.65 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -53.86 -47.73 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -65.05 -45.75 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -60.37 -62.18 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.1 t -45.86 -56.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 t -45.23 -53.34 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -49.92 -45.33 50.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 2.7 t80 -62.82 -38.83 92.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.567 ' CG1' ' CD1' ' A' ' 90' ' ' LEU . 81.1 mt -56.11 -53.33 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.29 -42.01 90.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -60.55 115.33 3.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -72.81 -60.01 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.29 -38.0 1.8 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -74.28 123.11 23.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.576 HG23 ' CD1' ' A' ' 111' ' ' PHE . 13.6 pt -117.96 -29.4 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.464 ' N ' HG13 ' A' ' 66' ' ' ILE . 43.2 pttt -156.77 144.56 19.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 69' ' ' LYS . 29.9 tttp -153.17 147.18 25.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.466 ' CB ' ' HG2' ' A' ' 105' ' ' MET . 8.3 pttm -114.22 129.03 56.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.471 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 57.1 m-85 -89.98 137.67 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.411 ' O ' ' SD ' ' A' ' 73' ' ' MET . 52.6 mm-40 -63.64 139.68 97.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.471 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -88.15 -44.85 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.471 ' ND2' ' HB2' ' A' ' 73' ' ' MET . 1.7 m-80 -130.46 172.42 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -80.7 -27.18 37.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.464 ' CG2' ' NZ ' ' A' ' 45' ' ' LYS . 40.9 mm -95.15 -29.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 1.6 pp20? -33.68 -38.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.479 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 32.1 ttp85 -60.11 -54.11 49.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' ILE . 9.6 m -58.89 -52.3 66.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.433 HD12 ' CD2' ' A' ' 48' ' ' PHE . 31.0 mt -50.91 -62.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.459 HD21 ' CG1' ' A' ' 104' ' ' VAL . 46.3 tp -51.49 -45.65 62.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 21.2 m-70 -48.62 -43.45 36.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -67.67 -42.41 82.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.14 -40.69 88.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.17 -60.64 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.8 pt-20 -47.23 -37.95 11.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.438 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 85.1 t -72.4 -41.03 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.2 -31.59 72.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.49 34.73 3.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.53 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.567 ' CD1' ' CG1' ' A' ' 60' ' ' ILE . 87.1 mt -126.95 166.08 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.449 HG22 ' CE2' ' A' ' 93' ' ' PHE . 22.0 m -83.36 131.56 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 p -118.21 146.8 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.522 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 37.3 m-85 -160.23 167.76 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.7 m -132.66 116.06 16.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 93' ' ' PHE . 88.9 m-85 -125.81 124.89 41.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.08 136.36 8.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.51 -45.26 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -117.65 162.43 18.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.8 -40.29 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 32.4 t -90.63 109.77 20.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -132.14 105.74 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 9.1 p90 -108.11 151.94 25.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 70' ' ' PHE . 13.9 p -92.02 156.41 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.466 ' HG2' ' CB ' ' A' ' 69' ' ' LYS . 10.7 mtp -140.58 160.73 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.8 pt -144.7 138.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.23 172.26 8.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -92.32 173.02 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.41 -47.49 76.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.21 -39.62 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.576 ' CD1' HG23 ' A' ' 66' ' ' ILE . 63.1 m-85 -87.22 17.98 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.16 144.15 92.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.481 ' HG2' ' CE2' ' A' ' 93' ' ' PHE . 53.8 Cg_endo -69.75 159.81 52.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.302 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 m -96.34 164.53 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -55.22 -67.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.28 -46.16 69.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 76.3 mm-40 -57.8 -40.66 80.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.522 HD22 ' CZ ' ' A' ' 93' ' ' PHE . 23.6 mt -58.52 -50.6 73.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -55.34 -43.29 74.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.6 m -70.59 -40.03 73.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 15.0 m-85 -52.81 -50.22 64.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' VAL . 23.6 mmtm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' LYS . 85.2 t -33.7 -59.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' VAL . 73.1 mt-10 -37.9 -59.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 88.0 t80 -51.78 -52.4 49.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -40.85 -54.86 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -57.44 -52.23 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -51.56 -40.02 58.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.602 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 34.5 mmt -67.24 -43.43 81.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -54.27 -41.65 69.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -67.65 -48.48 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.48 -57.84 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.9 t -47.97 -60.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 t -47.27 -58.32 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -44.44 -44.0 8.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -65.56 -44.62 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.437 HG12 ' CD1' ' A' ' 90' ' ' LEU . 85.5 mt -53.73 -59.33 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -56.83 -43.06 80.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.39 110.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -63.61 -54.46 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.56 -39.63 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -73.14 121.98 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.569 HG23 ' CZ ' ' A' ' 111' ' ' PHE . 8.0 pt -114.98 -26.55 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 66' ' ' ILE . 43.9 pttt -154.14 148.6 26.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 106' ' ' ILE . 46.7 tttm -139.39 143.89 37.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -123.42 121.2 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.469 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 87.4 m-85 -91.15 169.23 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.416 ' O ' ' SD ' ' A' ' 73' ' ' MET . 11.0 mm100 -105.18 138.77 19.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.404 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.1 Cg_endo -69.81 82.73 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.416 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 2.5 mpp? -77.03 -45.14 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.494 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 3.4 m120 -130.7 177.82 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -91.1 -29.15 17.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.2 mm -87.16 -43.73 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.602 ' OE1' ' CD2' ' A' ' 48' ' ' PHE . 5.9 mm-40 -39.83 -31.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' NH2' ' C ' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -55.77 -61.22 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.6 t -56.95 -42.67 80.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.8 mt -57.56 -59.97 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.473 HD22 ' CG1' ' A' ' 104' ' ' VAL . 36.5 tp -51.39 -43.26 61.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.404 ' NE2' ' HD2' ' A' ' 78' ' ' ARG . 3.2 m-70 -55.66 -42.98 75.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.99 -45.39 93.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.16 -35.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.5 t -70.46 -56.66 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -51.85 -34.55 41.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.456 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 86.6 t -71.47 -43.19 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.89 -33.59 75.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.55 37.49 1.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.437 ' CD1' HG12 ' A' ' 60' ' ' ILE . 84.5 mt -126.74 163.82 22.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -86.46 145.69 26.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.6 p -139.01 141.38 38.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 35.9 m-85 -151.38 153.79 35.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.7 p -111.62 110.76 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 43.1 m-85 -126.99 123.9 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.37 166.55 25.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -82.23 -37.92 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -129.53 153.88 47.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -46.13 -50.44 15.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -65.01 -42.19 94.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.42 104.81 17.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.411 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 43.5 mtp180 -138.06 116.2 11.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.552 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 4.0 p90 -101.79 165.3 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.473 ' CG1' HD22 ' A' ' 81' ' ' LEU . 11.9 p -109.21 144.22 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.6 mtp -130.74 163.78 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 68' ' ' LYS . 17.9 pt -142.93 146.98 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.447 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 18.4 m-85 -135.25 164.79 26.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -89.25 174.26 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -63.46 -58.13 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -72.1 -40.49 68.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.569 ' CZ ' HG23 ' A' ' 66' ' ' ILE . 25.7 m-85 -84.93 17.95 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.75 143.71 92.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.572 0.701 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.457 ' CG ' HD22 ' A' ' 118' ' ' LEU . 53.8 Cg_endo -69.82 159.91 51.62 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 m -95.93 166.39 11.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -56.57 -65.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -52.69 -49.26 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 5.1 mm-40 -56.49 -44.98 81.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.458 HD21 ' CE2' ' A' ' 93' ' ' PHE . 22.3 mt -52.59 -49.11 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -63.45 -38.46 91.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.1 m -74.12 -25.55 59.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 15.4 m-85 -73.45 -47.63 40.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.526 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' VAL . 16.6 mttm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' LYS . 70.4 t -34.68 -66.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -45.64 -55.68 6.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 68.1 t80 -52.15 -60.81 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 -40.45 -48.64 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -55.36 -54.44 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -49.43 -51.62 34.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.591 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -51.79 -46.54 64.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -55.74 -41.49 74.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -50.22 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.42 -54.71 42.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.4 t -54.97 -61.14 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 t -44.32 -58.1 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -46.25 -44.36 16.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.0 -43.15 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.1 mt -53.43 -59.52 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -53.7 -42.37 67.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.92 121.98 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 t -83.68 -61.84 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -39.18 -39.68 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -82.48 118.7 23.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.558 HG23 ' CE2' ' A' ' 111' ' ' PHE . 25.1 pt -100.15 -29.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.425 ' N ' HG13 ' A' ' 66' ' ' ILE . 50.7 pttt -143.07 153.8 43.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -134.56 139.52 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.463 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 1.4 ttpm? -108.04 125.78 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.437 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 42.7 m-85 -96.34 161.72 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.466 ' NE2' ' HD2' ' A' ' 72' ' ' PRO . 14.9 tm0? -107.67 136.21 19.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.466 ' HD2' ' NE2' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.79 83.28 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.6 mtm -82.7 -42.42 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -128.24 177.79 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -91.29 -32.2 15.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.0 mm -91.66 -30.19 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.6 pt-20 -39.64 -30.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.426 ' N ' ' HG3' ' A' ' 77' ' ' GLU . 37.9 ttp85 -64.27 -57.2 10.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -54.71 -47.91 73.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.1 mt -59.77 -58.06 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.3 tp -51.89 -43.63 63.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -54.96 -47.06 75.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -57.48 -47.17 82.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.1 t -60.71 -36.48 71.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.7 t -69.57 -57.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 10.2 pt-20 -49.58 -34.11 16.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.458 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 84.2 t -75.01 -41.78 45.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.63 75.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.09 40.34 1.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.9 mt -126.86 169.68 13.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.8 m -92.96 134.26 35.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 92.8 p -123.18 127.77 49.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 29.5 m-85 -142.84 125.54 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -86.41 112.41 21.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 57.7 m-85 -118.99 124.41 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.49 141.66 12.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -76.66 -36.31 57.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.452 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 10.7 p-10 -130.97 154.98 47.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -41.2 93.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.93 -42.61 94.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.3 t -110.32 113.74 26.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpt85 -128.33 104.69 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 20.1 p90 -93.93 160.33 14.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 105' ' ' MET . 8.8 p -110.66 141.94 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.568 ' HE3' ' CE1' ' A' ' 107' ' ' PHE . 47.2 mtp -127.05 164.0 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.7 pt -141.95 142.33 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.568 ' CE1' ' HE3' ' A' ' 105' ' ' MET . 6.2 m-85 -127.1 157.52 39.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -79.09 174.3 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -58.4 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -69.34 -36.77 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.558 ' CE2' HG23 ' A' ' 66' ' ' ILE . 51.0 m-85 -91.46 17.97 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.6 144.81 94.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 111.067 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.467 ' CG ' HD23 ' A' ' 118' ' ' LEU . 53.8 Cg_endo -69.76 155.9 64.75 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 m -89.69 165.44 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -67.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.7 -46.99 59.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.401 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 52.7 mt-10 -58.55 -45.06 89.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.566 HD22 ' CZ ' ' A' ' 93' ' ' PHE . 19.4 mt -51.91 -50.8 60.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.58 -57.36 12.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 p -58.63 -34.11 70.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 6.7 m-85 -56.75 -48.06 78.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.471 ' CD ' HD11 ' A' ' 80' ' ' ILE . 21.6 mmtm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' LYS . 96.4 t -35.12 -66.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' VAL . 40.3 mt-10 -36.09 -58.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 77' ' ' GLU . 94.4 t80 -54.81 -43.7 73.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -48.89 -51.41 30.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -59.88 -48.24 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -53.97 -40.37 66.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.428 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 27.5 mmt -67.6 -37.94 83.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.13 -42.02 89.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -67.68 -48.35 66.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.13 -52.98 62.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.2 t -54.11 -62.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -41.5 -56.72 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -47.74 -46.5 30.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -63.42 -33.66 76.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.46 -58.0 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -55.91 -45.66 78.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.05 117.07 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 t -82.67 -48.65 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.99 -37.34 4.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -82.63 124.89 30.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.571 HG23 ' CE2' ' A' ' 111' ' ' PHE . 14.2 pt -108.37 -28.58 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 66' ' ' ILE . 22.7 pttp -144.64 155.96 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -138.21 144.58 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.469 ' HD3' ' CG ' ' A' ' 103' ' ' TYR . 0.4 OUTLIER -117.2 103.04 9.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.455 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 71.4 m-85 -84.26 138.97 32.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -79.73 138.88 54.15 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 79.79 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 mtm -74.05 -44.24 54.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -129.73 177.19 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -86.68 -47.78 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 78' ' ' ARG . 1.4 mt -78.17 -34.42 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.455 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 26.4 mt-10 -38.99 -30.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' ILE . 20.0 ttp180 -64.96 -54.93 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -57.42 -45.49 84.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.471 HD11 ' CD ' ' A' ' 45' ' ' LYS . 12.2 mt -57.84 -53.28 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.4 tp -55.53 -43.43 75.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.506 ' CE1' ' HB2' ' A' ' 92' ' ' SER . 17.5 m-70 -53.82 -48.95 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -58.94 -45.62 89.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.1 t -63.12 -36.53 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.13 -56.79 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -50.43 -35.02 26.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.43 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 72.2 t -74.36 -40.07 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.09 70.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.43 34.08 2.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.3 mt -126.96 169.63 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.5 m -89.72 146.45 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.506 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . 29.1 p -132.23 134.59 45.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.563 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 14.0 m-85 -156.74 132.45 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -99.34 136.16 39.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 62.5 m-85 -141.75 123.92 15.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.53 157.25 24.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -84.87 -28.96 25.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -119.6 150.35 40.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.81 -35.15 74.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -80.52 -42.26 22.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 85.5 m -96.17 109.66 22.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -142.15 117.68 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.552 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 3.4 p90 -90.06 164.68 14.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 70' ' ' PHE . 14.1 p -109.06 123.74 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.454 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 16.2 mtp -111.95 161.44 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.1 pt -140.76 141.74 31.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.41 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 4.3 m-85 -122.62 167.65 13.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -93.44 170.55 9.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -61.78 -48.15 81.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -78.87 -37.46 40.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.571 ' CE2' HG23 ' A' ' 66' ' ' ILE . 50.1 m-85 -91.79 18.02 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.85 144.73 90.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.41 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.7 Cg_endo -69.77 154.63 67.47 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 m -89.93 161.13 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -54.52 -67.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -51.02 -46.45 61.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.439 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 62.8 mm-40 -58.13 -42.42 85.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.563 HD22 ' CZ ' ' A' ' 93' ' ' PHE . 31.0 mt -56.34 -49.04 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -56.09 -49.17 74.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.4 p -67.27 -34.52 77.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 9.0 m-85 -56.89 -44.72 82.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -127.62 168.3 15.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.0 t -98.21 112.22 24.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.27 101.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.1 p -145.86 136.05 23.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 43' ' ' GLY . 90.9 p -148.2 169.15 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' SER . . . 35.12 66.72 0.33 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -118.99 176.58 5.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -42.91 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.0 t -39.11 -65.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -48.85 -46.42 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CD1' ' OE2' ' A' ' 77' ' ' GLU . 80.7 t80 -55.51 -50.21 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -51.06 -57.39 8.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -47.0 -51.54 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -54.4 -42.0 69.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 34.4 mmt -63.63 -42.82 98.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -55.68 -46.28 77.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -65.27 -46.06 82.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.46 -58.91 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.4 t -46.82 -61.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 t -47.55 -54.1 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -48.91 -43.0 38.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.67 -40.21 88.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.447 ' CG1' ' CD1' ' A' ' 90' ' ' LEU . 79.0 mt -57.42 -54.85 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -57.99 -42.62 85.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.56 114.61 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m -74.84 -48.77 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.52 -41.6 12.72 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.93 117.54 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.566 HG21 ' CE2' ' A' ' 111' ' ' PHE . 6.9 pt -99.8 -20.1 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -156.02 168.87 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.462 ' HD3' ' CZ ' ' A' ' 70' ' ' PHE . 7.9 ttmt -146.11 133.19 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.57 105.12 15.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.568 ' CD2' HD21 ' A' ' 81' ' ' LEU . 49.2 m-85 -83.61 155.97 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.434 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 18.4 tt0 -103.89 138.51 19.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.646 0.736 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.7 Cg_endo -69.77 89.02 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.2 mtm -83.99 -41.98 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -127.81 177.07 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -88.43 -38.12 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.6 mm -88.51 -36.17 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.588 ' OE2' ' CD1' ' A' ' 48' ' ' PHE . 49.2 mt-10 -40.91 -29.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.522 ' HD2' ' CD2' ' A' ' 82' ' ' HIS . 2.8 tmm_? -59.9 -58.35 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 t -58.96 -42.45 89.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.9 mt -54.78 -55.73 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.568 HD21 ' CD2' ' A' ' 70' ' ' PHE . 55.4 tp -56.37 -47.88 77.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.522 ' CD2' ' HD2' ' A' ' 78' ' ' ARG . 4.0 m-70 -47.7 -47.43 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -60.75 -51.87 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.6 t -53.08 -35.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' ALA . 74.3 t -69.72 -67.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 4.4 pt-20 -40.66 -33.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.45 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 88.7 t -77.03 -39.07 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -64.06 -33.69 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.29 32.32 2.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.447 ' CD1' ' CG1' ' A' ' 60' ' ' ILE . 60.0 mt -127.02 169.49 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.41 ' CG2' ' CE2' ' A' ' 93' ' ' PHE . 83.3 m -92.96 125.81 37.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 85.3 p -113.6 151.72 31.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.566 ' CE2' HD21 ' A' ' 118' ' ' LEU . 26.7 m-85 -165.8 163.83 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -124.6 130.81 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 103' ' ' TYR . 14.6 m-85 -139.9 126.55 20.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.82 149.13 20.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.95 -47.26 30.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.84 144.44 43.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -44.57 -40.61 5.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.37 -42.24 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 14.2 m -93.33 115.9 28.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -138.63 111.17 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.538 ' CD2' ' O ' ' A' ' 95' ' ' PHE . 4.8 p90 -100.31 165.62 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.8 p -114.5 135.64 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.459 ' HE1' ' CZ ' ' A' ' 107' ' ' PHE . 40.0 mtp -123.43 161.98 23.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.414 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 15.4 pt -141.61 145.01 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.459 ' CZ ' ' HE1' ' A' ' 105' ' ' MET . 7.2 m-85 -130.73 166.15 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -86.54 173.83 9.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -64.4 -52.43 58.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -75.45 -38.09 59.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.566 ' CE2' HG21 ' A' ' 66' ' ' ILE . 69.0 m-85 -90.02 17.97 6.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.82 144.76 91.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.415 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.6 Cg_endo -69.78 159.86 51.82 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -95.68 164.36 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -55.34 -67.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -52.56 -45.37 66.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.489 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 34.2 mt-10 -59.99 -39.43 85.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.566 HD21 ' CE2' ' A' ' 93' ' ' PHE . 20.5 mt -58.9 -48.29 81.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -58.05 -46.79 84.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.7 p -66.85 -40.24 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 13.6 m-85 -52.73 -49.31 65.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -64.77 -49.13 71.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -58.76 -28.88 66.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.2 -163.72 26.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.1 t -82.03 -53.41 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 110.884 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -162.36 85.72 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.8 Cg_endo -69.74 -2.66 10.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.386 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 127' ' ' PRO . 23.1 m -34.71 -47.81 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.9 m -55.53 -48.92 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -57.79 136.93 57.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 t -68.88 150.53 47.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.28 -94.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' SER . 14.5 t -125.78 126.25 44.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . 48.4 t -35.58 -43.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.76 164.12 1.84 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -96.32 147.16 24.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' VAL . 6.7 mptt -51.55 -44.39 62.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LYS . 84.6 t -34.29 -58.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -51.83 -57.46 9.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 79.7 t80 -49.96 -53.96 22.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -46.11 -54.78 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -49.36 -52.06 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -49.69 -57.15 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -49.5 -45.36 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -53.53 -44.77 69.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -66.61 -47.36 72.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.09 -61.89 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -44.82 -57.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 t -51.99 -56.19 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -47.37 -42.1 21.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.8 t80 -66.53 -37.17 84.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.445 ' CG1' HD13 ' A' ' 90' ' ' LEU . 83.3 mt -58.12 -52.43 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.88 -42.25 98.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.11 108.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -72.63 -45.89 56.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.76 -43.27 11.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -79.09 122.91 26.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.57 HG22 ' CE2' ' A' ' 111' ' ' PHE . 31.4 pt -99.81 -30.46 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 66' ' ' ILE . 16.1 ptpt -142.52 165.45 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 106' ' ' ILE . 13.9 tttp -150.29 138.15 20.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.425 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 28.1 ttmt -121.91 123.69 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.419 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 91.5 m-85 -95.28 155.32 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.428 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 36.5 tt0 -93.28 138.02 23.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.77 88.68 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 19.5 mtm -82.95 -41.82 18.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.476 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 38.3 m-80 -127.79 177.2 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -88.8 -30.23 19.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.2 mm -93.98 -32.83 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -44.68 -30.92 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HD2' ' CD2' ' A' ' 82' ' ' HIS . 4.8 tmm_? -61.51 -48.47 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.1 t -65.36 -50.13 66.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.4 mt -51.06 -51.16 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.424 HD23 ' CG1' ' A' ' 104' ' ' VAL . 32.5 tp -58.11 -42.77 86.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.562 ' CD2' ' HD2' ' A' ' 78' ' ' ARG . 11.7 m-70 -51.95 -51.36 57.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -59.59 -43.34 93.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.87 -35.33 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -72.8 -58.73 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -49.03 -33.75 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 91.9 t -76.54 -42.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.11 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.27 34.24 2.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.445 HD13 ' CG1' ' A' ' 60' ' ' ILE . 79.9 mt -125.31 168.52 13.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.4 m -87.5 135.28 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.0 p -126.75 140.63 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.524 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 31.4 m-85 -152.68 125.66 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 65.9 p -82.08 120.45 25.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.578 ' O ' ' CD2' ' A' ' 103' ' ' TYR . 41.0 m-85 -130.1 125.01 34.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.0 140.52 11.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 23.0 pm0 -79.54 -33.67 41.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.811 0.338 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.456 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 5.8 t70 -134.02 142.18 47.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.19 -39.17 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.75 -42.17 86.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 15.6 t -103.37 113.4 26.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -126.42 104.96 8.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 95' ' ' PHE . 44.2 p90 -96.14 165.52 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 105' ' ' MET . 14.7 p -117.09 144.04 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.452 ' N ' HG23 ' A' ' 104' ' ' VAL . 18.3 mtp -129.3 162.61 27.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 68' ' ' LYS . 27.3 pt -144.91 144.15 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.426 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 12.9 m-85 -128.08 165.68 19.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 112' ' ' ALA . 38.6 mttt -89.67 168.7 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -62.22 -51.59 67.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -74.54 -39.23 62.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.57 ' CE2' HG22 ' A' ' 66' ' ' ILE . 67.5 m-85 -91.79 18.05 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 108' ' ' LYS . . . -70.85 144.67 90.92 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.56 0.695 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.426 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.8 Cg_endo -69.77 153.11 69.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.316 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 m -90.26 165.96 13.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -56.79 -67.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -51.6 -45.19 63.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.457 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 63.3 mm-40 -59.66 -42.66 93.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.524 HD13 ' CZ ' ' A' ' 93' ' ' PHE . 22.4 mt -55.31 -52.3 63.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -54.36 -50.02 68.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -66.65 -32.42 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.457 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 7.9 m-85 -59.09 -43.91 91.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -71.17 -45.06 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -28.84 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.43 56.49 4.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 126' ' ' GLY . 71.5 p -146.14 144.7 30.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 125' ' ' SER . . . 34.42 -111.85 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 144.02 52.62 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.329 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.8 m -106.54 172.14 6.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.7 p -143.7 151.51 40.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.5 m -132.04 164.37 26.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -122.68 156.99 33.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.24 45.58 3.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 t -151.57 148.2 27.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.3 p -67.43 121.8 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.3 -47.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -108.1 12.26 26.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.947 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' VAL . 7.3 mtpm? -66.17 -45.87 79.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 94.2 t -34.9 -67.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -41.61 -59.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 77' ' ' GLU . 73.8 t80 -44.47 -49.54 9.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 -54.95 -46.85 75.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -52.07 -55.79 18.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -51.2 -45.87 62.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 33.9 mmt -57.22 -41.88 80.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -58.41 -49.34 77.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -64.61 -46.57 82.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -59.79 -58.6 7.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -48.31 -62.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.7 t -44.6 -55.49 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -47.86 -43.03 28.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -64.92 -41.28 95.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.464 ' CG1' HD11 ' A' ' 90' ' ' LEU . 98.6 mt -54.18 -54.59 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -59.67 -41.83 91.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.44 113.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t -72.91 -58.79 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.97 -36.94 5.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -75.05 127.54 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.554 HG22 ' CE1' ' A' ' 111' ' ' PHE . 13.3 pt -113.13 -29.79 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' N ' HG13 ' A' ' 66' ' ' ILE . 35.4 pttt -147.76 160.71 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -145.35 129.09 17.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -105.72 120.6 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.451 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 64.2 m-85 -94.62 169.14 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.402 ' O ' ' SD ' ' A' ' 73' ' ' MET . 15.2 mm-40 -112.03 138.55 21.76 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.5 Cg_endo -69.78 83.58 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.7 mpp? -77.04 -41.59 41.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -127.5 176.02 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -87.54 -34.11 18.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.0 mm -92.44 -35.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -40.9 -37.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -53.16 -55.71 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.7 t -60.78 -46.67 89.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.1 mt -52.39 -53.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.459 HD23 ' CG1' ' A' ' 104' ' ' VAL . 43.2 tp -56.58 -47.89 78.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.466 ' CD2' HG22 ' A' ' 104' ' ' VAL . 3.6 m-70 -50.03 -43.69 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.88 -52.28 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.53 -37.1 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.47 -62.84 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -44.31 -35.51 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.456 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 75.7 t -72.06 -40.14 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.85 -34.16 77.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.15 34.98 2.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.464 HD11 ' CG1' ' A' ' 60' ' ' ILE . 85.4 mt -126.03 165.91 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.0 m -86.53 139.27 31.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 p -133.01 139.47 47.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 40.2 m-85 -156.28 127.54 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.5 p -85.72 109.27 18.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.794 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 63.5 m-85 -116.1 125.25 52.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.93 144.28 15.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.31 -43.38 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.34 166.67 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.46 -42.22 98.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -69.78 -42.2 74.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 22.6 m -89.12 113.97 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -138.18 104.73 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 3.8 p90 -95.89 165.67 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.466 HG22 ' CD2' ' A' ' 82' ' ' HIS . 7.7 p -113.15 131.49 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.413 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 38.9 mtp -121.58 163.46 18.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.2 pt -143.76 144.62 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.519 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 8.9 m-85 -127.5 169.54 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 112' ' ' ALA . 33.4 mttt -93.44 173.41 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.74 -48.13 75.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.57 -35.6 39.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.554 ' CE1' HG22 ' A' ' 66' ' ' ILE . 56.9 m-85 -94.45 18.0 12.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 108' ' ' LYS . . . -70.89 144.66 90.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.519 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.1 Cg_endo -69.78 156.94 62.01 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 m -95.82 163.07 13.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -54.47 -67.29 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -50.96 -46.48 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.475 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 55.6 mt-10 -58.02 -42.92 86.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.9 mt -55.34 -54.09 48.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.27 -48.48 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.7 p -71.09 -24.88 62.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 4.6 m-85 -68.0 -33.74 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -83.62 -39.77 19.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -64.42 -26.64 68.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 125' ' ' SER . . . 63.3 -157.02 41.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.44 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 124' ' ' GLY . 6.4 t -35.65 -49.99 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 175.93 -117.8 0.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 167.84 23.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 t -55.9 151.2 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.9 p -149.48 151.92 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.505 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.4 m -86.56 -60.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.5 m -49.22 -56.73 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -132.93 133.53 7.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -109.95 153.7 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.9 t -68.31 -49.08 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.15 134.1 2.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -139.18 165.82 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 46' ' ' VAL . 38.2 mttm -90.07 -45.19 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' LYS . 92.6 t -36.08 -51.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -51.14 -54.41 25.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 65.8 t80 -56.06 -50.59 70.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -46.29 -50.24 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -56.78 -55.12 38.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 ttt85 -49.91 -46.47 51.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 29.2 mmt -59.0 -43.97 91.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.0 -46.19 71.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -67.59 -47.21 70.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -58.07 -59.42 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.6 t -48.87 -59.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 t -48.79 -59.63 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -42.62 -43.78 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 2.5 t80 -64.73 -48.47 74.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.7 mt -48.8 -53.77 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.77 -38.93 86.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.96 117.05 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -83.57 -48.07 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.06 -39.73 9.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -88.02 121.62 30.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.555 HG23 ' CZ ' ' A' ' 111' ' ' PHE . 25.3 pt -94.13 -31.87 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.451 ' N ' HG13 ' A' ' 66' ' ' ILE . 13.3 ptpt -139.59 168.48 19.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 106' ' ' ILE . 38.6 tttp -148.76 122.72 9.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -95.31 116.42 28.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.45 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 63.1 m-85 -85.8 168.9 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -117.8 138.54 25.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HB3' ' NH2' ' A' ' 78' ' ' ARG . 53.2 Cg_endo -69.78 80.7 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -76.68 -42.26 42.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.468 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 2.4 m120 -128.04 177.18 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -87.51 -36.04 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLU . 20.7 mm -89.1 -36.55 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.566 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 22.3 mt-10 -38.12 -35.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -53.92 -55.46 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.8 t -63.63 -48.4 77.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.416 ' CD1' ' HD3' ' A' ' 45' ' ' LYS . 48.1 mt -51.01 -56.58 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.464 HD23 ' CG1' ' A' ' 104' ' ' VAL . 31.2 tp -54.36 -43.02 70.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.4 ' NE2' ' OG ' ' A' ' 94' ' ' SER . 2.7 m-70 -52.56 -44.61 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -62.62 -48.81 77.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.6 t -59.5 -40.3 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.4 t -67.99 -61.03 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -46.85 -33.15 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.6 t -76.91 -39.86 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.33 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.48 34.19 2.14 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -127.24 171.05 11.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.4 m -100.3 121.18 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t -115.85 153.76 30.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 37.2 m-85 -157.34 134.72 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.4 ' OG ' ' NE2' ' A' ' 82' ' ' HIS . 11.9 m -93.07 106.09 18.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.586 ' O ' ' CD2' ' A' ' 103' ' ' TYR . 48.7 m-85 -111.54 124.96 53.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.47 132.46 5.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -73.6 -36.64 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.14 155.29 34.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -53.41 -41.63 66.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.53 -41.97 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 22.8 m -88.02 108.63 19.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.46 ' O ' ' NE ' ' A' ' 78' ' ' ARG . 30.1 mtm180 -136.96 104.59 5.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 95' ' ' PHE . 46.7 p90 -98.26 165.71 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.464 ' CG1' HD23 ' A' ' 81' ' ' LEU . 7.4 p -118.93 143.57 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.421 ' N ' HG23 ' A' ' 104' ' ' VAL . 42.5 mtp -126.93 159.86 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 68' ' ' LYS . 10.7 pt -137.89 147.64 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 10.6 m-85 -132.23 166.61 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 112' ' ' ALA . 29.0 mttt -88.96 172.91 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -63.82 -52.08 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -74.68 -40.86 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 66' ' ' ILE . 81.2 m-85 -90.19 17.97 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 108' ' ' LYS . . . -71.08 144.83 90.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.703 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.2 Cg_endo -69.78 159.17 54.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.472 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 2.2 m -99.58 164.16 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -54.7 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -52.32 -46.39 66.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.472 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 6.3 mm-40 -57.54 -42.55 83.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.553 HD22 ' CE2' ' A' ' 93' ' ' PHE . 28.6 mt -56.17 -51.32 68.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -55.84 -41.06 73.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 m -71.28 -40.02 71.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 23.4 m-85 -54.61 -42.99 71.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -74.86 -48.79 23.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -59.01 -29.0 66.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.34 -112.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.9 t 59.29 41.35 20.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.947 0.403 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 121.0 146.18 7.44 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.04 31.2 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.318 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.5 t -42.72 -60.05 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.6 m -81.46 177.31 9.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -46.42 -56.35 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.3 p -127.05 158.28 37.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.788 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.26 123.06 7.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -106.69 159.16 16.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.8 p -72.46 137.4 46.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.31 79.62 0.16 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -78.24 165.06 24.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -89.66 -40.55 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LYS . 87.6 t -34.05 -63.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.9 -56.09 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 77' ' ' GLU . 85.4 t80 -45.93 -62.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -43.06 -46.86 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -51.88 -58.64 5.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -47.24 -51.99 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.462 ' SD ' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -51.22 -46.89 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -53.74 -47.01 71.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -48.49 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -58.12 -62.44 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.9 t -46.49 -57.37 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 t -45.15 -58.88 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -47.82 -44.62 28.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -63.56 -40.91 98.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.526 ' CG1' ' CD1' ' A' ' 90' ' ' LEU . 63.1 mt -54.01 -54.66 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -58.17 -44.59 88.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -59.23 104.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -73.63 -44.82 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.19 -39.63 5.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -87.56 131.75 34.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.503 HG23 ' CG ' ' A' ' 111' ' ' PHE . 7.3 pt -111.74 -24.79 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' HG13 ' A' ' 66' ' ' ILE . 20.9 pttt -143.61 155.6 44.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -147.0 135.72 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.482 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 5.3 ttpt -106.82 131.12 54.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -103.62 168.52 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -109.53 138.37 20.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.84 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.3 mtm -95.48 -42.77 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.471 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 7.4 m-20 -128.36 177.31 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -90.13 -34.23 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.8 mm -90.43 -34.94 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.564 ' HG2' ' CE2' ' A' ' 48' ' ' PHE . 22.3 mt-10 -39.8 -31.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -58.94 -53.94 52.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.2 t -62.68 -46.52 87.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.1 mt -54.22 -57.77 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD23 ' CG1' ' A' ' 104' ' ' VAL . 21.2 tp -51.81 -50.57 60.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -44.7 -55.8 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -51.91 -52.32 50.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.78 -41.17 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 67.5 t -60.72 -61.1 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.68 -54.87 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -56.72 -40.5 70.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.62 -30.52 71.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.98 30.69 5.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.526 ' CD1' ' CG1' ' A' ' 60' ' ' ILE . 81.2 mt -127.07 167.67 15.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.2 m -89.1 144.64 25.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.1 p -132.51 133.41 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 32.2 m-85 -150.86 131.15 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.4 m -96.84 118.95 34.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 122' ' ' ARG . 49.2 m-85 -127.84 125.13 39.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.47 138.6 9.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.13 -44.68 62.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -115.21 140.52 49.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -46.8 -46.52 20.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.12 -42.21 99.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.62 105.19 17.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -130.26 104.83 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 4.2 p90 -94.86 165.72 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.458 ' CG1' HD23 ' A' ' 81' ' ' LEU . 7.5 p -113.15 134.79 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.482 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 30.4 mtp -117.13 158.96 23.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.8 pt -140.35 147.1 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.51 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 14.7 m-85 -134.19 168.24 19.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 112' ' ' ALA . 33.4 mttt -89.75 174.04 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -67.06 -53.72 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.39 -36.03 63.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.503 ' CG ' HG23 ' A' ' 66' ' ' ILE . 50.5 m-85 -94.12 18.0 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 108' ' ' LYS . . . -70.6 143.64 90.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.51 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.3 Cg_endo -69.68 160.08 51.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -97.7 171.83 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.89 -67.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -54.23 -44.33 71.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 6.3 mm-40 -59.52 -42.17 91.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.551 HD12 ' CZ ' ' A' ' 93' ' ' PHE . 19.3 mt -56.39 -53.92 51.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -54.54 -42.23 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.5 m -75.72 -17.29 59.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 7.9 m-85 -82.15 -28.15 32.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.574 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 4.6 ptp180 -88.54 -33.63 17.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.455 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 9.6 ptt180 -58.58 -29.16 66.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.64 159.98 4.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.4 p -53.83 120.58 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.82 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.62 -151.62 5.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 103.13 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.7 m -89.93 116.09 27.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 32.9 p -57.22 -54.0 51.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.458 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.4 p -41.97 -47.12 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -89.37 129.53 35.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.46 -166.91 29.24 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -79.48 158.15 27.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t 67.46 42.05 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.73 48.26 0.92 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -138.26 174.17 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' VAL . 8.8 mptt -83.68 -39.31 20.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' GLU . 55.6 t -34.29 -64.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' VAL . 6.3 mm-40 -34.64 -55.81 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 63.6 t80 -64.27 -48.5 75.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -48.09 -68.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -51.17 -38.66 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -59.76 -46.68 88.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 29.0 mmt -63.34 -41.34 98.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -55.27 -46.84 76.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -62.42 -48.28 80.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.97 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.6 t -39.88 -56.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 t -48.19 -57.56 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -46.91 -43.42 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.14 -40.17 95.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.419 ' CG1' HD13 ' A' ' 90' ' ' LEU . 85.9 mt -55.64 -51.94 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -60.2 -42.89 96.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' NE2' ' A' ' 65' ' ' GLN . 2.0 t70 -59.98 121.37 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.8 t -82.84 -55.73 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.73 -40.03 2.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.446 ' NE2' ' CG ' ' A' ' 62' ' ' ASP . 37.0 mt-30 -77.54 119.27 20.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.564 HG21 ' CE1' ' A' ' 111' ' ' PHE . 23.6 pt -98.44 -22.59 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -147.64 170.6 17.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.486 ' HB3' ' CG1' ' A' ' 106' ' ' ILE . 10.5 tptt -143.12 124.71 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -97.58 103.12 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.555 ' CD2' HD23 ' A' ' 81' ' ' LEU . 31.5 m-85 -82.71 145.78 29.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -92.28 138.54 24.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 89.92 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.634 2.223 . . . . 0.0 112.328 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -86.75 -41.93 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.4 ' O ' ' OE1' ' A' ' 77' ' ' GLU . 2.4 m-80 -127.73 177.12 7.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -90.84 -28.86 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.1 mm -93.06 -14.97 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -43.71 -25.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.553 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 8.6 tpp85 -64.72 -67.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.5 t -50.43 -47.14 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.8 mt -62.21 -68.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.555 HD23 ' CD2' ' A' ' 70' ' ' PHE . 49.8 tp -46.17 -54.32 8.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.533 ' CD2' ' HG3' ' A' ' 78' ' ' ARG . 8.0 m-70 -45.16 -51.12 10.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -53.56 -49.85 66.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.06 -31.57 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.76 -53.33 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 87' ' ' VAL . 3.6 pt-20 -57.7 -35.05 70.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.442 ' N ' ' HG2' ' A' ' 86' ' ' GLU . 91.0 t -69.82 -39.61 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.74 -32.16 72.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.33 36.09 2.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.419 HD13 ' CG1' ' A' ' 60' ' ' ILE . 81.6 mt -126.96 169.1 13.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.6 m -93.73 136.46 33.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.5 p -125.87 143.53 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.548 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 12.1 m-85 -151.84 149.14 28.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.4 p -106.53 111.2 23.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 92.7 m-85 -117.46 125.7 51.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.51 134.83 7.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -73.53 -38.94 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -132.59 161.78 32.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -52.68 -46.99 67.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.8 -42.15 64.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 7.3 t -86.47 103.65 15.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -139.33 125.99 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -127.05 165.57 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.465 ' CG1' HD21 ' A' ' 81' ' ' LEU . 14.4 p -106.07 146.05 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.0 mtp -138.21 155.23 48.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.486 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 7.1 pt -137.27 144.79 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.514 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 27.7 m-85 -125.79 171.61 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 112' ' ' ALA . 30.1 mttt -93.37 171.8 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.82 -50.56 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.65 -38.6 47.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 66' ' ' ILE . 41.4 m-85 -91.06 17.95 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 108' ' ' LYS . . . -70.89 144.58 90.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.1 Cg_endo -69.76 151.77 69.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.6 m -93.79 165.59 12.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.45 -66.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -54.22 -44.58 71.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 15.5 mm-40 -59.32 -36.14 75.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.87 -50.27 69.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.43 -42.7 74.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.1 p -73.45 -40.6 64.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 10.6 m-85 -51.84 -41.29 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -79.3 -40.66 29.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -26.69 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.21 -151.99 18.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.3 t -118.99 149.95 40.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.03 84.67 1.66 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 160.65 48.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.8 m -97.95 169.76 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.5 t -136.36 135.51 38.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.8 p 52.29 41.26 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.2 m 61.16 43.04 11.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.71 -115.59 3.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -112.17 122.6 48.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' GLY . 35.8 p -112.19 173.43 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' SER . . . -36.42 118.67 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.448 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' LYS . 12.5 mt-30 -138.56 135.05 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 46' ' ' VAL . 36.4 mttp -35.31 -41.92 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' LYS . 92.1 t -33.76 -60.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.47 -59.78 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 58.8 t80 -51.07 -57.49 8.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -41.87 -60.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -45.34 -56.21 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.423 ' CG ' ' HE2' ' A' ' 52' ' ' MET . 63.6 ttt-85 -48.02 -58.46 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.532 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -48.05 -45.44 32.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -53.88 -43.94 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -68.53 -48.8 63.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.39 -57.08 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 90' ' ' LEU . 70.7 t -49.74 -57.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.5 t -47.65 -58.98 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -45.58 -42.53 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 108' ' ' LYS . 2.5 t80 -65.06 -39.94 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.421 HG12 ' CD1' ' A' ' 90' ' ' LEU . 91.2 mt -56.1 -48.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -65.02 -39.4 93.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.41 105.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 m -71.61 -54.06 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -42.65 -39.31 3.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -83.77 127.23 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.545 HG21 ' CD2' ' A' ' 111' ' ' PHE . 8.2 pt -108.95 -24.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' N ' HG13 ' A' ' 66' ' ' ILE . 16.8 pttp -142.08 158.26 43.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -143.79 137.52 28.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -101.01 128.92 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.479 ' CD2' HD22 ' A' ' 81' ' ' LEU . 22.2 m-85 -109.88 115.98 30.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.425 ' CD ' ' HD2' ' A' ' 72' ' ' PRO . 14.6 tm0? -63.18 138.21 97.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.425 ' HD2' ' CD ' ' A' ' 71' ' ' GLN . 53.5 Cg_endo -69.79 83.65 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.5 mpp? -75.86 -42.39 49.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.23 177.88 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -93.22 -22.53 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 78' ' ' ARG . 34.3 mm -96.27 -30.31 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.0 pt-20 -37.82 -27.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -60.8 -53.07 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 m -69.38 -44.19 72.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mt -59.89 -61.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.479 HD22 ' CD2' ' A' ' 70' ' ' PHE . 16.2 tp -51.92 -43.98 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 5.3 m-70 -52.25 -48.94 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.28 -45.42 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.74 -40.71 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.1 t -67.97 -63.29 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 6.5 pt-20 -43.29 -36.05 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 98.2 t -72.09 -41.46 67.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.6 -30.73 71.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.148 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.92 37.46 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' CD1' HG11 ' A' ' 56' ' ' VAL . 84.6 mt -126.91 166.78 16.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.2 m -96.12 147.72 23.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.2 m -148.63 151.47 35.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 45.0 m-85 -154.19 167.43 29.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 p -106.61 113.69 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 28.6 m-85 -134.9 124.87 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.11 153.84 22.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -82.22 -43.41 17.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.58 139.17 51.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -44.3 -43.1 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.58 -42.27 82.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 59.6 m -99.12 110.04 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -126.61 108.74 11.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.413 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 8.5 p90 -96.2 165.62 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.7 p -116.94 134.98 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.0 mmm -117.44 162.7 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 pt -138.06 143.07 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.484 ' CD2' ' HD3' ' A' ' 113' ' ' PRO . 4.4 m-85 -126.23 163.72 22.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 59' ' ' PHE . 35.2 mttt -88.56 173.03 8.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -63.79 -52.56 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -75.64 -39.84 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.545 ' CD2' HG21 ' A' ' 66' ' ' ILE . 28.6 m-85 -87.59 17.92 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.71 144.46 91.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.554 0.692 . . . . 0.0 111.155 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.484 ' HD3' ' CD2' ' A' ' 107' ' ' PHE . 54.3 Cg_endo -69.75 160.01 51.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.418 ' HB2' ' CD ' ' A' ' 117' ' ' GLU . 2.4 m -94.7 161.05 14.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -54.16 -67.37 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -52.75 -46.44 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.418 ' CD ' ' HB2' ' A' ' 114' ' ' SER . 77.8 mt-10 -57.05 -42.38 80.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.548 HD11 ' CZ ' ' A' ' 93' ' ' PHE . 30.6 mt -56.83 -51.39 69.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -54.79 -42.78 72.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -69.54 -42.45 74.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 20.2 m-85 -51.2 -47.08 62.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -68.95 -43.83 74.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -60.46 -28.73 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 120.35 -124.09 5.8 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.0 t -106.83 164.35 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.32 -157.14 2.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.82 5.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 m -92.13 147.55 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.1 m -42.43 -48.87 5.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -74.56 -62.0 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.818 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -64.6 151.6 44.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.9 107.11 3.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 p -146.99 147.65 30.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 p -105.7 156.81 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.38 71.59 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -114.58 126.76 55.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' VAL . 62.4 mttt -38.3 -46.49 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.1 t -34.34 -52.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -54.16 -56.45 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 62.6 t80 -55.58 -50.57 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -47.98 -57.09 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -50.68 -54.82 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.8 ttt85 -48.17 -47.73 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 30.9 mmt -59.53 -43.34 93.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -53.82 -47.77 70.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -61.74 -48.68 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -60.13 -60.9 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.7 t -41.82 -58.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -47.75 -61.05 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -44.04 -41.58 5.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.7 t80 -68.1 -43.45 78.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.443 ' CG1' HD12 ' A' ' 90' ' ' LEU . 71.8 mt -53.5 -53.36 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.86 -42.53 98.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.81 105.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -73.73 -44.58 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.74 -40.71 33.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.23 117.96 23.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 110.942 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.582 ' CG2' ' CE2' ' A' ' 111' ' ' PHE . 27.7 pt -96.58 -31.04 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' N ' HG13 ' A' ' 66' ' ' ILE . 39.4 pttt -136.3 153.38 51.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.465 ' HB3' ' CG1' ' A' ' 106' ' ' ILE . 30.6 tttt -131.42 140.02 49.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -113.17 110.76 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -82.48 168.99 16.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' SD ' ' A' ' 73' ' ' MET . 38.2 mt-30 -110.55 138.8 21.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 92.28 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 2.2 mpp? -95.7 -43.98 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.405 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 85.0 m-20 -129.23 177.66 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -91.89 -34.09 14.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' GLU . 21.4 mm -84.72 -23.14 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 17.7 pt-20 -37.55 -34.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 82' ' ' HIS . 2.9 tpp180 -57.12 -66.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.8 m -51.38 -51.15 57.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 57.5 mt -57.55 -67.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.7 tp -46.31 -52.29 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.474 ' CD2' ' HG3' ' A' ' 78' ' ' ARG . 5.5 m-70 -48.3 -43.89 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -59.08 -48.64 80.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.35 -34.07 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.5 t -69.62 -59.45 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 1.2 pp20? -48.73 -36.26 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.457 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 78.6 t -70.42 -41.88 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.11 -34.52 78.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.77 37.76 2.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.443 HD12 ' CG1' ' A' ' 60' ' ' ILE . 87.7 mt -127.15 163.08 24.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.0 m -83.81 146.21 28.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 p -135.84 148.15 48.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -161.33 167.11 26.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.409 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 96.1 p -119.63 128.85 54.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -142.98 124.09 14.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.89 138.61 9.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -76.86 -44.94 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -117.66 139.62 50.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -42.36 -48.62 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -42.27 92.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 42.5 t -91.46 106.96 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -133.15 108.74 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 4.0 p90 -107.57 155.19 20.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.4 p -102.46 134.45 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 68.1 mtp -119.39 164.0 16.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 7.2 pt -140.48 147.7 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -128.55 164.44 22.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -87.57 168.89 12.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -58.64 -58.91 6.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.56 -40.72 80.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.582 ' CE2' ' CG2' ' A' ' 66' ' ' ILE . 38.9 m-85 -84.95 18.0 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.92 140.14 88.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.05 54.81 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.286 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.463 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 3.2 m -94.99 164.47 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.71 -67.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -52.02 -46.92 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 64.3 mm-40 -56.79 -45.52 82.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.55 -49.18 68.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -55.48 -47.12 76.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.6 p -66.36 -42.11 88.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -50.07 -51.61 41.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.66 -42.16 87.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -58.92 -29.12 66.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 131.74 98.24 0.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.3 t -98.3 164.25 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -124.0 160.2 18.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.07 2.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.5 t 66.5 45.55 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.0 m -126.64 167.32 15.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.7 p -72.52 158.39 35.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.924 0.393 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.0 p -72.61 -41.48 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.75 173.55 30.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.8 p -91.73 145.75 24.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.839 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.9 p -80.47 -33.5 36.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.03 -42.9 1.34 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -61.52 147.41 45.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 46' ' ' VAL . 31.3 mmmt -66.51 -25.56 66.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 45' ' ' LYS . 96.7 t -33.46 -51.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -53.85 -57.32 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 76.7 t80 -49.8 -57.68 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -42.08 -51.36 4.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -53.57 -50.44 65.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -50.6 -52.41 39.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.535 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -53.95 -47.19 71.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -50.59 -47.19 58.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -64.9 -46.59 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.57 -65.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.2 t -42.99 -58.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.9 t -47.43 -54.81 10.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.26 -46.77 55.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -61.85 -38.64 88.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.455 HG12 ' CD1' ' A' ' 90' ' ' LEU . 94.0 mt -56.61 -57.38 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -56.82 -39.01 73.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.73 112.92 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' GLY . 52.0 m -70.59 -65.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' SER . . . -38.43 -38.39 0.63 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -74.27 116.84 15.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 111' ' ' PHE . 22.5 pt -103.32 -27.88 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -145.65 161.68 39.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -145.57 132.69 20.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.47 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 28.3 tttt -102.99 143.9 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -119.83 168.04 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -113.88 138.28 22.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.6 Cg_endo -69.77 92.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 11.4 mtm -91.1 -42.95 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -128.66 175.6 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -27.78 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' GLU . 19.5 mm -89.79 -30.05 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.5 pp20? -38.09 -32.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' NH2' ' HB2' ' A' ' 94' ' ' SER . 0.3 OUTLIER -58.21 -67.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.5 t -49.0 -46.98 44.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.6 mt -58.27 -68.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.404 HD22 ' CG1' ' A' ' 104' ' ' VAL . 38.9 tp -47.38 -45.8 25.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -55.57 -43.3 75.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -62.51 -48.18 80.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.66 -34.14 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.41 -61.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 1.0 OUTLIER -46.34 -35.45 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 76.7 t -73.98 -41.1 52.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.35 75.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.58 37.39 2.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 60' ' ' ILE . 82.9 mt -125.31 165.61 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.7 m -83.02 136.41 34.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.0 p -129.57 137.77 50.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.569 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 23.3 m-85 -144.92 156.49 44.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.409 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -112.67 107.28 15.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 54.8 m-85 -124.27 124.05 41.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 102' ' ' ARG . . . -138.19 156.78 24.11 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -89.68 -29.59 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -125.49 133.21 52.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.58 -40.88 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -77.49 -42.33 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 56.9 m -110.12 111.75 23.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.474 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 7.7 ptm180 -138.48 133.95 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 3.5 p90 -93.38 165.69 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.407 ' HB ' ' CD ' ' A' ' 78' ' ' ARG . 13.8 p -115.18 136.27 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.47 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 20.9 mtp -123.68 163.47 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.4 pt -142.08 146.02 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.514 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 13.4 m-85 -129.51 165.06 22.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 112' ' ' ALA . 43.2 mttt -87.48 168.51 13.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -63.48 -48.21 78.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.39 -40.45 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.571 ' CE1' HG23 ' A' ' 66' ' ' ILE . 54.3 m-85 -90.39 17.98 6.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 108' ' ' LYS . . . -70.61 144.57 91.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.549 0.69 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.0 Cg_endo -69.71 150.35 68.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 m -89.8 166.02 13.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -55.2 -67.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -52.44 -45.21 65.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 5.3 mm-40 -59.79 -39.95 86.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.499 HD12 ' CZ ' ' A' ' 93' ' ' PHE . 21.4 mt -58.29 -49.25 77.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -57.55 -45.29 85.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.5 p -69.42 -36.42 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 12.4 m-85 -56.41 -48.02 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -68.31 -43.54 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -59.24 -28.03 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -39.38 -42.44 1.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.5 t -111.65 135.23 52.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 110.816 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 101.37 129.14 6.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 107.35 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.392 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.8 m -78.86 160.72 27.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 90.1 p -134.82 164.83 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.2 t -105.88 145.72 30.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -70.14 156.18 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.38 88.28 1.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -59.59 149.05 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.0 p -89.7 122.69 33.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.51 71.58 0.79 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -62.16 162.2 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -80.18 -45.6 17.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.1 t -38.44 -51.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -53.42 -54.93 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 90.8 t80 -54.59 -49.14 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -47.33 -55.4 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -52.63 -50.14 63.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -50.07 -49.12 52.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.46 ' HE1' ' N ' ' A' ' 52' ' ' MET . 31.9 mmt -57.77 -41.84 82.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.48 -46.33 76.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -65.56 -49.96 66.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -58.95 -63.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.3 t -44.17 -61.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -45.86 -60.53 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -41.01 -45.62 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.38 -42.46 98.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.3 mt -53.02 -55.09 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -57.84 -43.75 86.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -58.37 111.54 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -76.49 -56.35 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.29 -41.31 2.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -78.46 125.82 29.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.568 HG22 ' CE2' ' A' ' 111' ' ' PHE . 11.2 pt -107.53 -30.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.463 ' N ' HG13 ' A' ' 66' ' ' ILE . 50.0 pttt -138.86 153.21 48.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.951 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -143.32 136.91 28.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -107.16 147.25 30.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -119.14 169.25 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 73' ' ' MET . 21.3 mt-30 -113.56 138.94 22.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.574 0.702 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 79.93 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.7 mpp? -74.88 -42.48 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.421 ' C ' ' HE3' ' A' ' 75' ' ' LYS . 2.7 m-80 -128.36 177.85 6.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HE3' ' N ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -93.22 -23.31 18.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' ARG . 47.6 mm -96.03 -29.79 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.0 pt-20 -38.52 -29.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 76' ' ' ILE . 14.0 mmm-85 -58.69 -55.78 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.3 t -65.29 -41.57 94.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.0 mt -61.37 -63.04 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.4 tp -52.91 -41.27 64.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 11.6 m-70 -55.19 -45.7 75.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -62.03 -43.87 97.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.93 -38.85 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.5 t -69.31 -59.98 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.9 pt-20 -46.91 -36.4 7.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.457 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 95.6 t -72.6 -42.26 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.83 -31.58 72.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.81 39.18 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 99.1 mt -126.97 161.57 28.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.902 0.382 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.6 m -92.23 139.89 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -132.33 159.56 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.562 ' CE2' HD22 ' A' ' 118' ' ' LEU . 23.5 m-85 -159.55 169.43 23.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.3 t -123.0 126.41 47.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.602 ' O ' ' CE2' ' A' ' 103' ' ' TYR . 49.0 m-85 -146.68 123.92 11.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.28 153.13 22.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.58 -40.02 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -124.3 150.65 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -48.77 -41.43 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.17 -41.85 76.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 59.4 m -94.16 111.78 23.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -134.45 111.04 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 95' ' ' PHE . 5.0 p90 -97.27 162.13 13.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.0 p -112.92 138.85 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 54.9 mtp -125.53 161.03 28.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 pt -140.89 144.18 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.518 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 46.9 m-85 -132.78 162.27 31.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 112' ' ' ALA . 37.3 mttt -81.2 174.07 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -67.46 -53.23 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.59 -38.92 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.568 ' CE2' HG22 ' A' ' 66' ' ' ILE . 49.4 m-85 -90.69 17.97 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 108' ' ' LYS . . . -70.42 144.79 92.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.709 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.518 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.6 Cg_endo -69.82 158.29 57.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 m -101.67 170.85 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.41 -67.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.29 -48.94 70.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 44.8 mt-10 -55.19 -41.24 71.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.562 HD22 ' CE2' ' A' ' 93' ' ' PHE . 19.0 mt -57.08 -55.18 38.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -53.66 -36.89 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.2 m -76.83 -33.96 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 15.0 m-85 -65.19 -44.63 87.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.57 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -74.06 -35.97 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -69.01 -28.5 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 112.87 134.83 6.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.451 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.8 t -77.57 -53.31 7.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.91 -170.32 0.45 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.24 20.72 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.339 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 93.7 p -85.02 137.89 32.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.5 t -89.81 -52.49 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.528 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.8 p -153.5 152.84 31.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.4 p -85.55 157.22 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.92 -60.89 0.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.0 t -70.6 160.86 31.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.1 m -84.52 175.33 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.93 64.45 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -145.34 161.48 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.527 ' NZ ' ' ND2' ' A' ' 74' ' ' ASN . 22.1 mmtt -61.12 -45.36 95.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . 90.3 t -34.67 -65.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' VAL . 18.2 mt-10 -36.85 -60.9 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.622 ' CE1' ' CD ' ' A' ' 77' ' ' GLU . 86.2 t80 -51.93 -51.45 56.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -44.54 -52.09 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -56.12 -54.64 42.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -47.32 -46.67 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.4 mmt -61.1 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -51.83 -47.23 64.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -58.02 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.02 -47.78 44.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.9 t -54.37 -63.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 1.6 t -46.77 -55.06 8.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -46.19 -45.62 16.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -62.86 -41.85 99.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' ' 57' ' ' SER . 43.2 mt -54.28 -54.26 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -59.68 -40.75 88.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.29 113.21 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.0 p -81.96 -47.17 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.36 -40.34 2.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.72 123.2 34.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.555 HG23 ' CZ ' ' A' ' 111' ' ' PHE . 14.9 pt -96.75 -23.2 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -143.91 160.36 40.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -139.76 122.7 16.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -98.98 113.54 25.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.564 ' CD2' HD21 ' A' ' 81' ' ' LEU . 49.0 m-85 -85.37 168.49 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -116.33 138.66 24.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.9 Cg_endo -69.78 81.43 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -78.18 -42.13 32.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.527 ' ND2' ' NZ ' ' A' ' 45' ' ' LYS . 12.7 t-20 -128.04 175.37 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.505 ' HG2' ' N ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -86.9 -36.03 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.505 ' N ' ' HG2' ' A' ' 75' ' ' LYS . 10.3 mm -88.9 -29.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.622 ' CD ' ' CE1' ' A' ' 48' ' ' PHE . 24.9 mt-10 -43.75 -28.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -60.61 -57.48 12.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 t -60.0 -45.42 92.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.472 HD12 ' CD ' ' A' ' 45' ' ' LYS . 17.7 mt -55.37 -62.54 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.564 HD21 ' CD2' ' A' ' 70' ' ' PHE . 25.2 tp -51.59 -44.49 62.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 30.9 m-70 -50.12 -53.96 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -55.47 -45.05 76.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.2 t -58.97 -33.81 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 83.2 t -71.32 -57.58 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.27 -30.88 19.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.3 t -79.7 -39.41 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.8 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.1 33.37 3.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.2 mt -124.35 169.77 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.7 m -89.08 130.77 35.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.2 p -117.35 141.17 48.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.52 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 24.7 m-85 -155.07 125.21 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.4 ' OG ' ' NE2' ' A' ' 82' ' ' HIS . 63.2 m -91.31 114.9 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.54 ' O ' ' CZ ' ' A' ' 103' ' ' TYR . 44.9 m-85 -119.28 125.13 48.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.09 130.15 4.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.3 -29.21 61.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.26 177.98 6.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.06 -46.5 9.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -61.34 -41.98 97.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 77.3 m -106.35 115.86 30.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -130.66 105.18 7.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 36.4 p90 -90.07 165.38 14.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 70' ' ' PHE . 7.4 p -118.81 136.47 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.423 ' N ' HG23 ' A' ' 104' ' ' VAL . 53.0 mtp -123.86 158.91 30.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.7 pt -141.24 147.86 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.5 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 10.8 m-85 -129.66 162.35 28.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -81.55 170.94 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -60.48 -53.57 55.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.48 -40.11 62.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 66' ' ' ILE . 62.0 m-85 -88.26 17.75 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.97 144.74 90.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.5 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.9 Cg_endo -69.7 155.44 66.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.385 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -100.53 165.94 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -53.42 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.27 -43.48 67.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.599 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 16.5 mm-40 -61.25 -36.66 80.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.52 HD23 ' CZ ' ' A' ' 93' ' ' PHE . 24.0 mt -62.41 -48.96 77.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -58.96 -40.36 84.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -72.67 -40.99 65.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 18.2 m-85 -53.78 -44.84 70.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -71.47 -44.23 65.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.445 ' NH1' ' HB3' ' A' ' 123' ' ' ARG . 5.3 mmm180 -59.48 -29.05 67.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -76.4 176.95 51.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.2 m -66.02 -59.41 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.816 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 99.84 146.18 19.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 171.79 13.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.3 m -151.04 159.13 44.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 94.3 p -137.65 143.03 41.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.9 m -72.93 130.68 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.3 p -67.77 -43.99 78.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.83 -143.69 8.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.4 p -91.59 160.74 15.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.8 p -64.84 115.17 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.56 78.58 0.26 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.13 10.36 22.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' VAL . 44.0 mttt -80.02 -43.75 21.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.0 t -33.92 -58.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -54.03 -57.18 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 55.2 t80 -49.49 -58.01 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -43.45 -56.72 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -46.51 -54.48 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -50.38 -57.29 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.466 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -48.13 -43.74 31.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -56.1 -47.96 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -67.02 -47.99 69.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.4 -55.09 37.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.9 t -51.37 -61.05 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 t -46.5 -61.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -43.44 -41.12 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -68.18 -44.38 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 90' ' ' LEU . 84.7 mt -53.93 -53.66 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -60.14 -44.32 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.46 111.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.1 p -77.4 -27.98 52.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.69 -34.26 86.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -86.57 120.49 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.94 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.568 HG23 ' CE2' ' A' ' 111' ' ' PHE . 11.9 pt -101.28 -27.87 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 66' ' ' ILE . 18.6 pttm -141.98 146.75 35.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' HB3' ' CG1' ' A' ' 106' ' ' ILE . 43.3 tttm -128.13 118.57 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -95.71 134.8 38.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.465 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 90.2 m-85 -116.75 140.05 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.443 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 38.5 tt0 -84.19 138.51 39.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.76 81.5 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.1 mtm -75.4 -43.64 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.497 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 21.7 t30 -129.1 177.16 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -87.08 -36.87 17.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 77' ' ' GLU . 28.4 mm -88.62 -39.15 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.497 ' OE2' ' CB ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -36.82 -39.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' CG ' ' HB ' ' A' ' 104' ' ' VAL . 10.1 ttm180 -56.41 -57.83 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -53.5 -52.97 57.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.2 mt -50.66 -47.3 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 104' ' ' VAL . 26.2 tp -58.69 -41.65 86.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.426 ' NE2' HG22 ' A' ' 104' ' ' VAL . 71.2 m-70 -55.8 -47.78 76.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.73 -47.23 85.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.84 -37.34 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.27 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 4.9 pt-20 -46.2 -33.36 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.426 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 90.4 t -74.85 -40.03 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.06 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.38 36.92 2.19 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.441 ' CD1' HG12 ' A' ' 60' ' ' ILE . 69.4 mt -127.07 167.59 15.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 85.7 m -90.59 125.88 35.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 p -112.99 151.98 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.539 ' CZ ' HD23 ' A' ' 118' ' ' LEU . 18.5 m-85 -161.73 162.04 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.439 ' O ' ' NH1' ' A' ' 122' ' ' ARG . 45.8 m -123.45 124.44 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.562 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 36.9 m-85 -134.79 125.1 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.05 147.88 19.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -79.31 -44.69 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 101' ' ' CYS . 7.7 t0 -116.66 142.38 46.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -44.25 -47.98 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -65.58 -42.46 91.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' ASP . 9.6 t -95.51 105.92 17.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -130.68 109.93 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 20.8 p90 -94.41 165.82 12.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.468 ' CG1' HD23 ' A' ' 81' ' ' LEU . 12.3 p -117.79 135.16 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 70.2 mtp -125.93 161.85 26.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 11.5 pt -140.18 149.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.514 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 5.9 m-85 -129.96 167.92 17.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 112' ' ' ALA . 44.1 mttt -90.81 165.27 13.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -58.08 -43.36 86.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.593 ' OE1' ' CZ ' ' A' ' 111' ' ' PHE . 0.2 OUTLIER -83.28 -39.41 20.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.593 ' CZ ' ' OE1' ' A' ' 110' ' ' GLU . 37.6 m-85 -90.44 17.98 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 108' ' ' LYS . . . -70.42 145.08 92.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.7 Cg_endo -69.81 154.92 66.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -89.2 164.44 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -67.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -52.11 -44.25 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.492 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 70.6 mm-40 -60.56 -40.28 91.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.539 HD23 ' CZ ' ' A' ' 93' ' ' PHE . 19.6 mt -57.47 -53.78 54.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -52.93 -50.0 64.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.9 m -63.67 -41.02 98.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.492 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 12.4 m-85 -53.52 -39.63 64.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 94' ' ' SER . 68.7 mtp85 -77.04 -33.24 57.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -63.73 -28.97 70.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.31 -40.48 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.6 m -51.99 156.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 178.82 167.92 37.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.68 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.388 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.5 t -79.93 130.8 35.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 90.5 p -90.5 -29.33 17.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -103.38 152.29 21.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.818 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -66.58 137.93 57.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.06 121.06 1.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.8 m -109.65 130.47 55.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.4 p -120.79 121.51 38.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.73 164.93 17.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.533 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -100.71 147.8 25.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' VAL . 4.0 mptt -41.11 -34.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 91.1 t -35.12 -67.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -42.4 -57.79 2.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 33.5 t80 -48.76 -62.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.456 ' HD3' ' CG2' ' A' ' 80' ' ' ILE . 0.9 OUTLIER -36.02 -56.15 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -50.69 -52.46 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -56.78 -46.83 81.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 27.3 mmt -62.11 -39.73 93.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' HA ' ' CG1' ' A' ' 84' ' ' VAL . 13.3 mm-40 -64.24 -54.49 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -56.72 -44.98 82.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.58 -59.77 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.7 t -45.43 -59.26 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -43.53 -56.0 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -48.74 -41.71 32.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.3 t80 -68.76 -43.09 76.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 84.7 mt -55.28 -52.67 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -59.74 -45.51 92.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.81 106.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.6 p -76.34 -23.24 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.35 -36.71 93.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -90.66 119.16 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.568 HG23 ' CE2' ' A' ' 111' ' ' PHE . 23.4 pt -95.22 -27.95 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' N ' HG13 ' A' ' 66' ' ' ILE . 12.7 ptpt -143.56 161.66 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 26.4 ttpt -149.69 140.79 22.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.562 ' HE3' ' CD2' ' A' ' 103' ' ' TYR . 73.0 tttt -106.51 137.61 44.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.456 ' CZ ' ' HE3' ' A' ' 68' ' ' LYS . 57.6 m-85 -114.66 118.39 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -63.13 139.03 97.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 79.98 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 21.3 mtm -76.75 -42.36 41.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -128.06 177.57 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -93.08 -29.92 15.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.3 mm -95.8 -24.31 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.9 pt-20 -42.61 -27.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -64.88 -55.29 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.3 t -57.6 -41.92 82.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.456 ' CG2' ' HD3' ' A' ' 49' ' ' ARG . 41.8 mt -63.28 -56.51 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' ' 70' ' ' PHE . 38.6 tp -56.5 -42.89 79.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -53.23 -54.54 34.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.42 -44.05 72.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.441 ' CG1' ' HA ' ' A' ' 53' ' ' GLU . 87.2 t -60.13 -38.52 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.1 t -69.6 -60.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.7 pt-20 -45.8 -35.26 4.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.434 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 95.0 t -74.52 -38.97 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.08 -31.91 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.27 35.01 2.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.8 mt -127.02 168.09 15.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.0 m -100.65 136.51 40.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 1.1 t -127.96 159.0 36.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 46.0 m-85 -163.01 160.56 24.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -115.17 119.86 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.599 ' O ' ' CE2' ' A' ' 103' ' ' TYR . 31.0 m-85 -136.45 123.71 21.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.26 153.56 22.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -76.39 -35.38 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -125.77 137.17 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -42.76 -37.18 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -67.83 -42.25 81.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 86.3 m -102.46 117.85 35.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -141.94 108.91 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 95' ' ' PHE . 21.4 p90 -90.03 165.93 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' A' ' 70' ' ' PHE . 7.4 p -115.3 112.01 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.2 mmm -97.36 163.16 13.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.6 pt -143.73 137.57 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.518 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 9.4 m-85 -121.66 166.48 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -87.78 173.85 8.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -63.47 -49.08 75.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -79.22 -38.66 35.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.568 ' CE2' HG23 ' A' ' 66' ' ' ILE . 63.3 m-85 -89.47 17.94 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.82 144.63 90.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 0.0 111.153 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.518 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.5 Cg_endo -69.77 152.1 69.19 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.719 2.28 . . . . 0.0 112.297 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.6 m -92.83 166.36 12.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -55.78 -67.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -52.89 -41.66 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 19.8 mm-40 -63.29 -38.84 92.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.64 -48.69 80.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.79 -43.33 94.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.8 p -68.91 -39.22 79.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.539 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 17.6 m-85 -56.34 -44.7 80.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -67.53 -47.54 69.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -58.8 -28.81 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 117.43 -86.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.2 p -147.98 143.74 27.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -171.63 -64.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -0.24 6.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.334 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.8 m -93.75 129.72 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 67.2 m -78.59 144.49 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.0 t -144.61 109.52 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.4 p -57.06 124.96 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 164.79 -176.07 40.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 m -55.44 -57.91 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.1 m -66.94 127.76 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.67 -94.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -131.68 161.58 32.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' CG ' HD11 ' A' ' 80' ' ' ILE . 3.4 mptt -85.4 -39.13 17.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 t -44.71 -68.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -45.49 -47.02 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -56.17 -51.68 67.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -48.46 -53.1 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -51.86 -49.87 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -55.48 -43.11 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.6 mmt -63.18 -44.86 94.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -53.95 -45.39 71.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.489 ' C ' ' CD ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -63.52 -58.24 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -49.3 -49.46 43.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.4 t -55.65 -61.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 t -44.41 -56.82 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -46.68 -46.53 20.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.8 t80 -64.3 -36.97 85.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.1 mt -56.06 -56.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -58.54 -44.63 89.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.99 120.48 6.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.4 p -87.83 -48.17 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.42 -39.7 4.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -86.9 131.58 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.608 ' CG2' ' CE2' ' A' ' 111' ' ' PHE . 11.9 pt -106.34 -22.95 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -147.07 161.99 39.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.45 ' HB3' ' CG1' ' A' ' 106' ' ' ILE . 63.4 tttt -136.22 129.45 31.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -103.61 121.28 42.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -100.82 158.23 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -100.01 137.95 20.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.727 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 80.73 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.1 mtm -83.01 -42.84 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -128.59 158.16 39.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -76.92 -33.96 57.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.0 mm -91.12 -15.81 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.96 -37.31 63.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.593 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 4.9 mtm105 -59.98 -44.48 94.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -63.58 -55.46 23.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.469 HD11 ' CG ' ' A' ' 45' ' ' LYS . 52.8 mt -54.39 -55.5 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.2 tp -59.08 -37.83 78.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 9.2 m-70 -55.55 -44.84 77.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.88 -42.43 85.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.91 -36.4 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -72.59 -62.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -46.94 -33.98 5.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.5 t -73.58 -44.26 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.57 -32.58 70.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.14 37.2 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.7 mt -127.01 170.89 11.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.2 m -91.8 140.03 30.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.5 p -130.19 142.62 50.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.563 ' CZ ' HD21 ' A' ' 118' ' ' LEU . 41.5 m-85 -157.45 135.24 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.2 p -93.1 113.62 25.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.593 ' O ' ' CE1' ' A' ' 103' ' ' TYR . 70.6 m-85 -121.59 124.04 43.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.12 152.84 22.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -85.38 -38.06 19.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.75 137.29 53.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 99' ' ' ASP . 5.9 t0 -45.06 -42.8 8.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -66.45 -42.25 87.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 11.1 t -110.01 107.93 17.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -132.06 120.81 22.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 25.1 p90 -96.29 165.52 12.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.3 p -110.6 138.54 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.6 mtp -128.92 162.01 28.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.45 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 19.4 pt -140.54 143.38 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.75 162.37 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -82.87 174.11 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -66.33 -49.82 65.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.94 -40.4 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.608 ' CE2' ' CG2' ' A' ' 66' ' ' ILE . 58.0 m-85 -86.37 18.02 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.43 144.71 92.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 111.079 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 158.71 56.01 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 m -91.21 161.54 15.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.86 -66.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -52.09 -47.99 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.47 -43.42 79.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.563 HD21 ' CZ ' ' A' ' 93' ' ' PHE . 29.4 mt -54.91 -52.05 64.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -53.46 -48.61 68.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.7 m -67.58 -34.35 76.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -56.19 -45.36 79.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.46 -43.45 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -58.71 -27.24 64.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 79.86 42.92 10.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -77.98 146.15 35.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -89.23 -169.64 44.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 103.98 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.385 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 96.4 p -132.12 156.79 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 90.6 p -101.74 130.17 48.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 m -79.42 126.26 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.884 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -80.82 -56.59 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.74 -68.8 2.28 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -67.79 111.26 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -40.4 -53.27 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.59 122.0 7.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -141.0 150.69 43.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' VAL . 42.8 mttp -44.89 -43.1 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' LYS . 71.9 t -36.05 -68.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -45.03 -62.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 92.0 t80 -43.12 -55.34 3.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -44.68 -58.47 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -46.05 -52.01 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -50.41 -57.2 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -50.74 -46.82 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -52.27 -41.68 63.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -69.75 -47.52 62.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.96 -54.74 43.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.5 t -52.92 -59.56 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 t -43.38 -55.7 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -49.17 -44.61 42.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.525 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -65.86 -39.48 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.446 HG12 ' CD1' ' A' ' 90' ' ' LEU . 85.1 mt -54.49 -61.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -55.84 -46.47 78.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -59.88 116.12 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.2 m -76.86 -49.82 14.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.6 -40.31 2.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -81.47 116.41 21.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.575 HG21 ' CE2' ' A' ' 111' ' ' PHE . 12.0 pt -99.99 -17.73 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' HD2' ' CE ' ' A' ' 105' ' ' MET . 20.6 pttp -153.95 157.38 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' HB3' ' CG1' ' A' ' 106' ' ' ILE . 41.7 tttt -136.14 116.08 13.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.491 ' HE2' ' CG ' ' A' ' 103' ' ' TYR . 9.8 tmtt? -95.84 115.5 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.527 ' CD1' HD21 ' A' ' 81' ' ' LEU . 87.7 m-85 -93.13 147.91 22.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -85.32 138.39 36.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.57 0.7 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 80.2 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.5 mtm -83.38 -42.61 16.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -128.38 156.15 43.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -27.96 58.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.2 mm -95.71 -14.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -56.84 -36.03 69.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.606 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 4.5 mtm105 -60.3 -44.03 95.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -63.7 -57.47 9.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.8 mt -52.98 -60.12 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 70' ' ' PHE . 22.3 tp -52.4 -42.02 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 8.9 m-70 -51.85 -59.27 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -50.46 -45.19 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.0 t -58.14 -37.46 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.9 t -65.88 -38.7 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.23 -49.33 64.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.22 -39.87 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.01 -34.91 79.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.88 37.19 2.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 60' ' ' ILE . 96.2 mt -126.51 160.47 30.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -77.61 145.12 36.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.534 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -124.73 153.99 41.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 92' ' ' SER . 32.2 m-85 -168.38 162.34 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.95 123.63 22.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.477 ' O ' ' CZ ' ' A' ' 103' ' ' TYR . 20.2 m-85 -133.14 128.31 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.09 153.62 22.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -86.39 -28.05 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -124.15 129.63 51.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -43.4 -34.38 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.51 -42.2 53.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 41.5 t -103.33 117.22 34.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -140.54 117.57 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 105' ' ' MET . 4.1 p90 -90.02 165.11 14.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.558 HG22 ' CE1' ' A' ' 82' ' ' HIS . 10.8 p -111.04 122.76 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.505 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 45.2 mtp -115.91 146.18 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.425 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 13.1 pt -124.15 146.35 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.14 166.45 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -88.93 174.24 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -68.64 -46.82 68.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.05 -40.24 28.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.575 ' CE2' HG21 ' A' ' 66' ' ' ILE . 45.6 m-85 -87.49 18.01 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.3 144.94 92.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 160.04 51.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -95.41 164.05 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.51 -66.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.5 -44.47 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 56.7 mm-40 -60.55 -36.44 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.528 HD23 ' CZ ' ' A' ' 93' ' ' PHE . 31.4 mt -62.81 -46.93 85.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -59.24 -43.2 92.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.3 m -71.36 -41.79 69.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 14.3 m-85 -51.42 -47.9 62.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mtp-105 -69.79 -43.46 72.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -59.21 -28.59 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.54 -76.38 2.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.4 m -129.45 168.66 16.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.84 70.17 0.84 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.543 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 174.83 8.94 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.5 t -96.23 147.55 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 68.0 m -124.79 158.94 32.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 61.1 p -76.14 130.39 38.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.6 p -77.36 125.85 29.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.29 141.07 1.22 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.539 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.1 m -94.63 160.61 14.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.824 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -147.05 147.7 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.21 39.64 2.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -110.3 -37.95 5.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 46' ' ' VAL . 35.4 mmtt -55.25 -32.4 62.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.463 ' C ' ' O ' ' A' ' 45' ' ' LYS . 86.3 t -33.04 -65.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -43.54 -58.75 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 77' ' ' GLU . 75.2 t80 -45.55 -55.88 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -47.21 -46.01 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -55.59 26.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -48.68 -54.51 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.419 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -50.03 -48.35 52.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.79 -48.51 59.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -65.52 -45.58 82.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -61.51 -65.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.2 t -42.39 -56.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 t -46.65 -55.92 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -48.15 -43.21 31.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.5 t80 -65.96 -42.62 89.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.426 HD12 ' CB ' ' A' ' 88' ' ' ALA . 95.9 mt -56.13 -56.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -56.15 -45.78 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.452 ' OD1' ' NE2' ' A' ' 65' ' ' GLN . 3.4 t0 -61.01 112.4 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.7 t -69.97 -49.07 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.86 -39.29 11.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.452 ' NE2' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -72.91 120.26 18.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.902 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.655 ' CG2' ' CE2' ' A' ' 111' ' ' PHE . 7.6 pt -106.0 -28.26 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 66' ' ' ILE . 11.0 ptpt -151.12 160.35 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 106' ' ' ILE . 41.4 tttp -145.62 129.23 17.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -112.75 108.42 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -82.37 169.12 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -103.17 139.76 20.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.7 mtm -95.28 -44.65 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -130.11 177.2 7.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -90.22 -35.72 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.7 mm -85.05 -37.57 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -40.61 -33.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.489 ' CD ' ' HB ' ' A' ' 104' ' ' VAL . 12.4 mmp_? -60.36 -64.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 t -47.16 -45.93 23.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.409 ' CD1' ' HD2' ' A' ' 45' ' ' LYS . 10.6 mt -59.97 -56.61 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.3 tp -52.12 -42.21 63.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -54.96 -53.39 56.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -53.74 -45.54 70.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.3 t -56.69 -38.5 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 90' ' ' LEU . 95.8 t -68.83 -65.56 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.9 pt-20 -41.17 -35.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.451 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 90.9 t -73.66 -41.01 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.426 ' CB ' HD12 ' A' ' 60' ' ' ILE . . . -64.29 -34.43 78.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.03 35.36 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.419 ' HB2' ' CG1' ' A' ' 85' ' ' VAL . 58.7 mt -126.93 170.01 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.7 m -95.59 120.47 35.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.1 p -108.82 146.23 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.561 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 14.4 m-85 -153.57 168.39 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.8 p -125.27 109.68 13.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CE1' ' HG2' ' A' ' 122' ' ' ARG . 95.1 m-85 -122.91 124.07 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.99 142.83 13.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -73.36 -41.78 63.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -116.26 165.89 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.94 -42.84 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -69.97 -42.14 73.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 10.5 t -96.38 115.76 27.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 61.3 mtm-85 -136.2 104.89 5.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.493 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 23.6 p90 -89.78 166.21 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.489 ' HB ' ' CD ' ' A' ' 78' ' ' ARG . 7.4 p -115.34 146.24 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.47 ' HE3' ' CZ ' ' A' ' 107' ' ' PHE . 60.9 mtp -131.56 151.27 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 68' ' ' LYS . 23.3 pt -131.88 144.61 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.515 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 8.8 m-85 -131.36 157.41 43.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -84.16 172.93 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -55.65 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -72.97 -40.48 65.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.655 ' CE2' ' CG2' ' A' ' 66' ' ' ILE . 44.4 m-85 -86.45 18.05 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.34 144.56 92.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.515 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.9 Cg_endo -69.8 159.81 52.02 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.463 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 13.8 m -95.27 162.31 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -54.64 -67.5 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -52.13 -47.67 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 5.7 mm-40 -56.54 -42.55 78.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.554 HD11 ' CZ ' ' A' ' 93' ' ' PHE . 28.0 mt -56.1 -50.07 72.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -57.44 -39.5 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.3 t -69.9 -45.7 67.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -52.9 -45.84 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.57 ' HG2' ' CE1' ' A' ' 95' ' ' PHE . 38.4 mtt180 -66.43 -43.44 85.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -58.76 -28.77 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 148.97 -163.81 29.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.3 t -127.11 149.1 50.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 143.15 -176.62 22.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 167.17 25.13 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.1 t -74.1 -54.38 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 20.5 p 52.03 40.13 27.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.524 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -79.81 143.83 34.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.8 t -82.23 -60.63 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.74 -131.18 7.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.9 p -110.33 130.44 55.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.9 p -135.83 161.26 36.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.89 -161.93 38.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.433 ' CD ' HG22 ' A' ' 46' ' ' VAL . 27.8 tt0 -156.51 151.5 26.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.881 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.464 ' NZ ' ' CG2' ' A' ' 76' ' ' ILE . 12.5 mtpp -56.69 -43.74 80.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG22 ' CD ' ' A' ' 44' ' ' GLN . 88.3 t -41.05 -65.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -41.28 -50.51 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' A' ' 80' ' ' ILE . 88.3 t80 -57.95 -43.43 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -52.21 -51.36 58.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -57.02 -49.55 75.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -49.16 -46.96 46.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 25.1 mmt -60.84 -41.65 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -53.86 -47.73 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -65.05 -45.75 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -60.37 -62.18 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.1 t -45.86 -56.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 t -45.23 -53.34 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -49.92 -45.33 50.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 2.7 t80 -62.82 -38.83 92.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.567 ' CG1' ' CD1' ' A' ' 90' ' ' LEU . 81.1 mt -56.11 -53.33 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.29 -42.01 90.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -60.55 115.33 3.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -72.81 -60.01 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.29 -38.0 1.8 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -74.28 123.11 23.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.576 HG23 ' CD1' ' A' ' 111' ' ' PHE . 13.6 pt -117.96 -29.4 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.464 ' N ' HG13 ' A' ' 66' ' ' ILE . 43.2 pttt -156.77 144.56 19.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 69' ' ' LYS . 29.9 tttp -153.17 147.18 25.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.466 ' CB ' ' HG2' ' A' ' 105' ' ' MET . 8.3 pttm -114.22 129.03 56.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.471 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 57.1 m-85 -89.98 137.67 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.411 ' O ' ' SD ' ' A' ' 73' ' ' MET . 52.6 mm-40 -63.64 139.68 97.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.471 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -88.15 -44.85 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.471 ' ND2' ' HB2' ' A' ' 73' ' ' MET . 1.7 m-80 -130.46 172.42 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -80.7 -27.18 37.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.464 ' CG2' ' NZ ' ' A' ' 45' ' ' LYS . 40.9 mm -95.15 -29.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 1.6 pp20? -33.68 -38.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.479 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 32.1 ttp85 -60.11 -54.11 49.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' ILE . 9.6 m -58.89 -52.3 66.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.433 HD12 ' CD2' ' A' ' 48' ' ' PHE . 31.0 mt -50.91 -62.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.459 HD21 ' CG1' ' A' ' 104' ' ' VAL . 46.3 tp -51.49 -45.65 62.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 21.2 m-70 -48.62 -43.45 36.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -67.67 -42.41 82.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.14 -40.69 88.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.17 -60.64 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.8 pt-20 -47.23 -37.95 11.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.438 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 85.1 t -72.4 -41.03 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.2 -31.59 72.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.49 34.73 3.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.53 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.567 ' CD1' ' CG1' ' A' ' 60' ' ' ILE . 87.1 mt -126.95 166.08 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.449 HG22 ' CE2' ' A' ' 93' ' ' PHE . 22.0 m -83.36 131.56 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 p -118.21 146.8 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.522 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 37.3 m-85 -160.23 167.76 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.7 m -132.66 116.06 16.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 93' ' ' PHE . 88.9 m-85 -125.81 124.89 41.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.08 136.36 8.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.51 -45.26 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -117.65 162.43 18.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.8 -40.29 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 32.4 t -90.63 109.77 20.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -132.14 105.74 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 9.1 p90 -108.11 151.94 25.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 70' ' ' PHE . 13.9 p -92.02 156.41 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.466 ' HG2' ' CB ' ' A' ' 69' ' ' LYS . 10.7 mtp -140.58 160.73 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.8 pt -144.7 138.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.23 172.26 8.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -92.32 173.02 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.41 -47.49 76.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.21 -39.62 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.576 ' CD1' HG23 ' A' ' 66' ' ' ILE . 63.1 m-85 -87.22 17.98 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.16 144.15 92.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.481 ' HG2' ' CE2' ' A' ' 93' ' ' PHE . 53.8 Cg_endo -69.75 159.81 52.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.302 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 m -96.34 164.53 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -55.22 -67.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.28 -46.16 69.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 76.3 mm-40 -57.8 -40.66 80.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.522 HD22 ' CZ ' ' A' ' 93' ' ' PHE . 23.6 mt -58.52 -50.6 73.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -55.34 -43.29 74.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.6 m -70.59 -40.03 73.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 15.0 m-85 -52.81 -50.22 64.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -68.88 -46.68 67.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -60.05 -25.08 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 89.35 -143.59 17.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.7 p -147.75 166.29 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.402 . . . . 0.0 110.871 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -159.04 -80.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 179.14 3.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.298 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.9 t -118.58 148.57 42.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 m -65.95 112.62 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m 63.21 40.41 8.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -86.47 115.59 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.85 -177.3 32.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.4 p -131.17 159.25 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 t -67.93 119.96 13.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.62 85.95 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -129.15 119.09 23.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' VAL . 23.6 mmtm -46.57 -38.48 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' LYS . 85.2 t -33.7 -59.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' VAL . 73.1 mt-10 -37.9 -59.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 88.0 t80 -51.78 -52.4 49.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -40.85 -54.86 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -57.44 -52.23 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -51.56 -40.02 58.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.602 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 34.5 mmt -67.24 -43.43 81.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -54.27 -41.65 69.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -67.65 -48.48 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.48 -57.84 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.9 t -47.97 -60.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 t -47.27 -58.32 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -44.44 -44.0 8.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -65.56 -44.62 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.437 HG12 ' CD1' ' A' ' 90' ' ' LEU . 85.5 mt -53.73 -59.33 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -56.83 -43.06 80.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.39 110.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -63.61 -54.46 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.56 -39.63 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -73.14 121.98 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.569 HG23 ' CZ ' ' A' ' 111' ' ' PHE . 8.0 pt -114.98 -26.55 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 66' ' ' ILE . 43.9 pttt -154.14 148.6 26.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 106' ' ' ILE . 46.7 tttm -139.39 143.89 37.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -123.42 121.2 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.469 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 87.4 m-85 -91.15 169.23 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.416 ' O ' ' SD ' ' A' ' 73' ' ' MET . 11.0 mm100 -105.18 138.77 19.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.404 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.1 Cg_endo -69.81 82.73 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.416 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 2.5 mpp? -77.03 -45.14 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.494 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 3.4 m120 -130.7 177.82 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -91.1 -29.15 17.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.2 mm -87.16 -43.73 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.602 ' OE1' ' CD2' ' A' ' 48' ' ' PHE . 5.9 mm-40 -39.83 -31.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' NH2' ' C ' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -55.77 -61.22 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.6 t -56.95 -42.67 80.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.8 mt -57.56 -59.97 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.473 HD22 ' CG1' ' A' ' 104' ' ' VAL . 36.5 tp -51.39 -43.26 61.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.404 ' NE2' ' HD2' ' A' ' 78' ' ' ARG . 3.2 m-70 -55.66 -42.98 75.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.99 -45.39 93.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.16 -35.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.5 t -70.46 -56.66 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -51.85 -34.55 41.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.456 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 86.6 t -71.47 -43.19 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.89 -33.59 75.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.55 37.49 1.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.437 ' CD1' HG12 ' A' ' 60' ' ' ILE . 84.5 mt -126.74 163.82 22.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -86.46 145.69 26.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.6 p -139.01 141.38 38.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 35.9 m-85 -151.38 153.79 35.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.7 p -111.62 110.76 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 43.1 m-85 -126.99 123.9 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.37 166.55 25.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -82.23 -37.92 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -129.53 153.88 47.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -46.13 -50.44 15.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -65.01 -42.19 94.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.42 104.81 17.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.411 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 43.5 mtp180 -138.06 116.2 11.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.552 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 4.0 p90 -101.79 165.3 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.473 ' CG1' HD22 ' A' ' 81' ' ' LEU . 11.9 p -109.21 144.22 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.6 mtp -130.74 163.78 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 68' ' ' LYS . 17.9 pt -142.93 146.98 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.447 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 18.4 m-85 -135.25 164.79 26.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -89.25 174.26 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -63.46 -58.13 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -72.1 -40.49 68.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.569 ' CZ ' HG23 ' A' ' 66' ' ' ILE . 25.7 m-85 -84.93 17.95 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.75 143.71 92.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.572 0.701 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.457 ' CG ' HD22 ' A' ' 118' ' ' LEU . 53.8 Cg_endo -69.82 159.91 51.62 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 m -95.93 166.39 11.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -56.57 -65.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -52.69 -49.26 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 5.1 mm-40 -56.49 -44.98 81.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.458 HD21 ' CE2' ' A' ' 93' ' ' PHE . 22.3 mt -52.59 -49.11 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -63.45 -38.46 91.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.1 m -74.12 -25.55 59.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 15.4 m-85 -73.45 -47.63 40.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.526 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -70.33 -33.21 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -71.12 0.8 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.38 98.81 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.6 t -57.94 -42.22 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.66 172.81 27.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.39 38.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.344 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.5 t -156.26 155.45 32.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -63.47 129.71 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.1 p -121.6 119.6 32.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -77.49 148.1 35.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.37 79.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.1 t -45.78 -60.39 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.2 p -94.97 115.77 27.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 44' ' ' GLN . . . 151.26 -43.2 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -34.49 -41.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 44' ' ' GLN . 16.6 mttm -34.4 -48.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' LYS . 70.4 t -34.68 -66.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -45.64 -55.68 6.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 68.1 t80 -52.15 -60.81 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 -40.45 -48.64 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -55.36 -54.44 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -49.43 -51.62 34.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.591 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -51.79 -46.54 64.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -55.74 -41.49 74.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -50.22 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.42 -54.71 42.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.4 t -54.97 -61.14 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 t -44.32 -58.1 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -46.25 -44.36 16.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.0 -43.15 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.1 mt -53.43 -59.52 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -53.7 -42.37 67.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.92 121.98 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 t -83.68 -61.84 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -39.18 -39.68 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -82.48 118.7 23.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.558 HG23 ' CE2' ' A' ' 111' ' ' PHE . 25.1 pt -100.15 -29.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.425 ' N ' HG13 ' A' ' 66' ' ' ILE . 50.7 pttt -143.07 153.8 43.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -134.56 139.52 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.463 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 1.4 ttpm? -108.04 125.78 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.437 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 42.7 m-85 -96.34 161.72 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.466 ' NE2' ' HD2' ' A' ' 72' ' ' PRO . 14.9 tm0? -107.67 136.21 19.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.466 ' HD2' ' NE2' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.79 83.28 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.6 mtm -82.7 -42.42 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -128.24 177.79 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -91.29 -32.2 15.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.0 mm -91.66 -30.19 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.6 pt-20 -39.64 -30.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.426 ' N ' ' HG3' ' A' ' 77' ' ' GLU . 37.9 ttp85 -64.27 -57.2 10.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -54.71 -47.91 73.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.1 mt -59.77 -58.06 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.3 tp -51.89 -43.63 63.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -54.96 -47.06 75.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -57.48 -47.17 82.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.1 t -60.71 -36.48 71.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.7 t -69.57 -57.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 10.2 pt-20 -49.58 -34.11 16.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.458 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 84.2 t -75.01 -41.78 45.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.63 75.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.09 40.34 1.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.9 mt -126.86 169.68 13.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.8 m -92.96 134.26 35.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 92.8 p -123.18 127.77 49.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 29.5 m-85 -142.84 125.54 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -86.41 112.41 21.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 57.7 m-85 -118.99 124.41 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.49 141.66 12.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -76.66 -36.31 57.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.452 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 10.7 p-10 -130.97 154.98 47.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -41.2 93.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.93 -42.61 94.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.3 t -110.32 113.74 26.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpt85 -128.33 104.69 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 20.1 p90 -93.93 160.33 14.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 105' ' ' MET . 8.8 p -110.66 141.94 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.568 ' HE3' ' CE1' ' A' ' 107' ' ' PHE . 47.2 mtp -127.05 164.0 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.7 pt -141.95 142.33 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.568 ' CE1' ' HE3' ' A' ' 105' ' ' MET . 6.2 m-85 -127.1 157.52 39.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -79.09 174.3 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -58.4 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -69.34 -36.77 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.558 ' CE2' HG23 ' A' ' 66' ' ' ILE . 51.0 m-85 -91.46 17.97 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.6 144.81 94.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 111.067 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.467 ' CG ' HD23 ' A' ' 118' ' ' LEU . 53.8 Cg_endo -69.76 155.9 64.75 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 m -89.69 165.44 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -67.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.7 -46.99 59.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.401 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 52.7 mt-10 -58.55 -45.06 89.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.566 HD22 ' CZ ' ' A' ' 93' ' ' PHE . 19.4 mt -51.91 -50.8 60.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.58 -57.36 12.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.554 ' HA ' ' CG ' ' A' ' 123' ' ' ARG . 5.6 p -58.63 -34.11 70.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 6.7 m-85 -56.75 -48.06 78.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -64.41 -56.53 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.554 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 4.0 ptp180 -61.04 -26.36 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.41 143.67 13.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.0 p -78.41 118.23 20.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -169.82 136.31 3.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 112.17 3.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.352 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.9 p -75.27 114.75 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.814 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.5 p -66.18 -48.81 69.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 p 52.23 38.89 25.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.8 m -149.87 119.86 7.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.59 49.92 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -66.41 170.07 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.7 p -107.95 171.57 7.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.09 -95.42 0.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -57.25 -58.02 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.381 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.471 ' CD ' HD11 ' A' ' 80' ' ' ILE . 21.6 mmtm -39.47 -43.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' LYS . 96.4 t -35.12 -66.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' VAL . 40.3 mt-10 -36.09 -58.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 77' ' ' GLU . 94.4 t80 -54.81 -43.7 73.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -48.89 -51.41 30.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -59.88 -48.24 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -53.97 -40.37 66.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.428 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 27.5 mmt -67.6 -37.94 83.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.13 -42.02 89.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -67.68 -48.35 66.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.13 -52.98 62.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.2 t -54.11 -62.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -41.5 -56.72 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -47.74 -46.5 30.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -63.42 -33.66 76.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.46 -58.0 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -55.91 -45.66 78.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.05 117.07 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 t -82.67 -48.65 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.99 -37.34 4.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -82.63 124.89 30.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.571 HG23 ' CE2' ' A' ' 111' ' ' PHE . 14.2 pt -108.37 -28.58 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 66' ' ' ILE . 22.7 pttp -144.64 155.96 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -138.21 144.58 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.469 ' HD3' ' CG ' ' A' ' 103' ' ' TYR . 0.4 OUTLIER -117.2 103.04 9.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.455 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 71.4 m-85 -84.26 138.97 32.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -79.73 138.88 54.15 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 79.79 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 mtm -74.05 -44.24 54.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -129.73 177.19 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -86.68 -47.78 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 78' ' ' ARG . 1.4 mt -78.17 -34.42 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.455 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 26.4 mt-10 -38.99 -30.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' ILE . 20.0 ttp180 -64.96 -54.93 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -57.42 -45.49 84.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.471 HD11 ' CD ' ' A' ' 45' ' ' LYS . 12.2 mt -57.84 -53.28 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.4 tp -55.53 -43.43 75.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.506 ' CE1' ' HB2' ' A' ' 92' ' ' SER . 17.5 m-70 -53.82 -48.95 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -58.94 -45.62 89.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.1 t -63.12 -36.53 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.13 -56.79 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -50.43 -35.02 26.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.43 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 72.2 t -74.36 -40.07 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.09 70.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.43 34.08 2.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.3 mt -126.96 169.63 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.5 m -89.72 146.45 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.506 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . 29.1 p -132.23 134.59 45.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.563 ' CZ ' HD22 ' A' ' 118' ' ' LEU . 14.0 m-85 -156.74 132.45 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -99.34 136.16 39.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 62.5 m-85 -141.75 123.92 15.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.53 157.25 24.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -84.87 -28.96 25.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -119.6 150.35 40.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.81 -35.15 74.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -80.52 -42.26 22.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 85.5 m -96.17 109.66 22.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -142.15 117.68 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.552 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 3.4 p90 -90.06 164.68 14.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 70' ' ' PHE . 14.1 p -109.06 123.74 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.454 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 16.2 mtp -111.95 161.44 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.1 pt -140.76 141.74 31.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.41 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 4.3 m-85 -122.62 167.65 13.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -93.44 170.55 9.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -61.78 -48.15 81.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -78.87 -37.46 40.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.571 ' CE2' HG23 ' A' ' 66' ' ' ILE . 50.1 m-85 -91.79 18.02 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.85 144.73 90.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.41 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.7 Cg_endo -69.77 154.63 67.47 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 m -89.93 161.13 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -54.52 -67.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -51.02 -46.45 61.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.439 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 62.8 mm-40 -58.13 -42.42 85.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.563 HD22 ' CZ ' ' A' ' 93' ' ' PHE . 31.0 mt -56.34 -49.04 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -56.09 -49.17 74.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.4 p -67.27 -34.52 77.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 9.0 m-85 -56.89 -44.72 82.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -71.47 -42.79 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -58.92 -24.89 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 80.37 71.14 1.29 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.9 p -127.84 151.27 49.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 151.77 125.18 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.76 2.307 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.4 m -85.51 118.24 24.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 67.6 m -61.49 -55.23 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.0 t -39.11 -65.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -48.85 -46.42 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CD1' ' OE2' ' A' ' 77' ' ' GLU . 80.7 t80 -55.51 -50.21 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -51.06 -57.39 8.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -47.0 -51.54 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -54.4 -42.0 69.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.612 ' SD ' HD13 ' A' ' 81' ' ' LEU . 34.4 mmt -63.63 -42.82 98.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -55.68 -46.28 77.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -65.27 -46.06 82.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.46 -58.91 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 52' ' ' MET . 81.4 t -46.82 -61.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.495 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.6 t -47.55 -54.1 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -48.91 -43.0 38.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.67 -40.21 88.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.929 ' CG1' HD11 ' A' ' 90' ' ' LEU . 79.0 mt -57.42 -54.85 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -57.99 -42.62 85.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.56 114.61 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m -74.84 -48.77 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.52 -41.6 12.72 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.93 117.54 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.463 HG22 ' CE2' ' A' ' 111' ' ' PHE . 6.9 pt -99.8 -20.1 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -156.02 168.87 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.556 ' HB3' HD11 ' A' ' 106' ' ' ILE . 7.9 ttmt -146.11 133.19 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.57 105.12 15.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.589 ' HB2' HG13 ' A' ' 104' ' ' VAL . 49.2 m-85 -83.61 155.97 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.437 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 18.4 tt0 -103.89 138.51 19.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.646 0.736 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.7 Cg_endo -69.77 89.02 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.2 mtm -83.99 -41.98 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -127.81 177.07 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -88.43 -38.12 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.6 mm -88.51 -36.17 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.93 ' HA ' HD12 ' A' ' 80' ' ' ILE . 49.2 mt-10 -40.91 -29.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.547 ' HD2' ' CD2' ' A' ' 82' ' ' HIS . 2.8 tmm_? -59.9 -58.35 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 t -58.96 -42.45 89.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 77' ' ' GLU . 24.9 mt -54.78 -55.73 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.612 HD13 ' SD ' ' A' ' 52' ' ' MET . 55.4 tp -56.37 -47.88 77.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.547 ' CD2' ' HD2' ' A' ' 78' ' ' ARG . 4.0 m-70 -47.7 -47.43 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.4 t70 -60.75 -51.87 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.6 t -53.08 -35.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 90' ' ' LEU . 74.3 t -69.72 -67.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 4.4 pt-20 -40.66 -33.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 83' ' ' ASP . 88.7 t -77.03 -39.07 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -64.06 -33.69 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.29 32.32 2.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.929 HD11 ' CG1' ' A' ' 60' ' ' ILE . 60.0 mt -127.02 169.49 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.41 ' CG2' ' CE2' ' A' ' 93' ' ' PHE . 83.3 m -92.96 125.81 37.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 85.3 p -113.6 151.72 31.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 92' ' ' SER . 26.7 m-85 -165.8 163.83 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -124.6 130.81 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 103' ' ' TYR . 14.6 m-85 -139.9 126.55 20.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.82 149.13 20.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.95 -47.26 30.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.84 144.44 43.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -44.57 -40.61 5.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.37 -42.24 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 14.2 m -93.33 115.9 28.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -138.63 111.17 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.538 ' CD2' ' O ' ' A' ' 95' ' ' PHE . 4.8 p90 -100.31 165.62 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.589 HG13 ' HB2' ' A' ' 70' ' ' PHE . 1.8 p -114.5 135.64 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 40.0 mtp -123.43 161.98 23.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.556 HD11 ' HB3' ' A' ' 68' ' ' LYS . 15.4 pt -141.61 145.01 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.43 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 7.2 m-85 -130.73 166.15 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.642 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 49.9 mttt -86.54 173.83 9.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -64.4 -52.43 58.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -75.45 -38.09 59.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.463 ' CE2' HG22 ' A' ' 66' ' ' ILE . 69.0 m-85 -90.02 17.97 6.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.82 144.76 91.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.43 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.6 Cg_endo -69.78 159.86 51.82 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -95.68 164.36 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -55.34 -67.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -52.56 -45.37 66.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.489 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 34.2 mt-10 -59.99 -39.43 85.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.9 -48.29 81.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -58.05 -46.79 84.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.7 p -66.85 -40.24 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 13.6 m-85 -52.73 -49.31 65.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' VAL . 6.7 mptt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.807 0.337 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LYS . 84.6 t -34.29 -58.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -51.83 -57.46 9.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 79.7 t80 -49.96 -53.96 22.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -46.11 -54.78 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -49.36 -52.06 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -49.69 -57.15 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -49.5 -45.36 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -53.53 -44.77 69.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -66.61 -47.36 72.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.09 -61.89 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -44.82 -57.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.613 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.5 t -51.99 -56.19 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -47.37 -42.1 21.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.8 t80 -66.53 -37.17 84.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.636 ' CG1' HD11 ' A' ' 90' ' ' LEU . 83.3 mt -58.12 -52.43 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.88 -42.25 98.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.11 108.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -72.63 -45.89 56.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.76 -43.27 11.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -79.09 122.91 26.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.886 HG22 ' CE2' ' A' ' 111' ' ' PHE . 31.4 pt -99.81 -30.46 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.417 ' N ' HG13 ' A' ' 66' ' ' ILE . 16.1 ptpt -142.52 165.45 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.672 ' HB3' HD11 ' A' ' 106' ' ' ILE . 13.9 tttp -150.29 138.15 20.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 28.1 ttmt -121.91 123.69 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.459 ' CD1' HD21 ' A' ' 81' ' ' LEU . 91.5 m-85 -95.28 155.32 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.427 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 36.5 tt0 -93.28 138.02 23.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.77 88.68 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 19.5 mtm -82.95 -41.82 18.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.476 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 11.2 m120 -127.79 177.2 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -88.8 -30.23 19.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.2 mm -93.98 -32.83 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -44.68 -30.92 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.581 ' HD2' ' CD2' ' A' ' 82' ' ' HIS . 4.8 tmm_? -61.51 -48.47 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.1 t -65.36 -50.13 66.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 77' ' ' GLU . 27.4 mt -51.06 -51.16 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.085 HD23 HG11 ' A' ' 104' ' ' VAL . 32.5 tp -58.11 -42.77 86.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.581 ' CD2' ' HD2' ' A' ' 78' ' ' ARG . 11.7 m-70 -51.95 -51.36 57.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.1 t70 -59.59 -43.34 93.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.87 -35.33 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 81' ' ' LEU . 95.8 t -72.8 -58.73 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.03 -33.75 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 83' ' ' ASP . 91.9 t -76.54 -42.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.493 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -58.55 -33.11 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.27 34.24 2.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.636 HD11 ' CG1' ' A' ' 60' ' ' ILE . 79.9 mt -125.31 168.52 13.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.4 m -87.5 135.28 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.401 ' HB3' HG11 ' A' ' 85' ' ' VAL . 71.0 p -126.75 140.63 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 31.4 m-85 -152.68 125.66 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.411 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 65.9 p -82.08 120.45 25.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 41.0 m-85 -130.1 125.01 34.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.0 140.52 11.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 23.0 pm0 -79.54 -33.67 41.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.811 0.338 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.453 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 5.8 t70 -134.02 142.18 47.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.19 -39.17 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.75 -42.17 86.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 15.6 t -103.37 113.4 26.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -126.42 104.96 8.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 44.2 p90 -96.14 165.52 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 1.085 HG11 HD23 ' A' ' 81' ' ' LEU . 14.7 p -117.09 144.04 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.423 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 18.3 mtp -129.3 162.61 27.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.672 HD11 ' HB3' ' A' ' 68' ' ' LYS . 27.3 pt -144.91 144.15 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.441 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 12.9 m-85 -128.08 165.68 19.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.72 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 38.6 mttt -89.67 168.7 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -62.22 -51.59 67.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -74.54 -39.23 62.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.886 ' CE2' HG22 ' A' ' 66' ' ' ILE . 67.5 m-85 -91.79 18.05 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.72 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.85 144.67 90.92 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.56 0.695 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.441 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.8 Cg_endo -69.77 153.11 69.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.316 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.407 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 2.8 m -90.26 165.96 13.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -56.79 -67.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -51.6 -45.19 63.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.457 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 63.3 mm-40 -59.66 -42.66 93.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.31 -52.3 63.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -54.36 -50.02 68.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -66.65 -32.42 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.457 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 7.9 m-85 -59.09 -43.91 91.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.674 ' HE2' HD11 ' A' ' 80' ' ' ILE . 7.3 mtpm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 94.2 t -34.9 -67.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -41.61 -59.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 77' ' ' GLU . 73.8 t80 -44.47 -49.54 9.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HD2' HG23 ' A' ' 80' ' ' ILE . 13.2 ttt-85 -54.95 -46.85 75.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -52.07 -55.79 18.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -51.2 -45.87 62.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.749 ' SD ' HD13 ' A' ' 81' ' ' LEU . 33.9 mmt -57.22 -41.88 80.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -58.41 -49.34 77.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -64.61 -46.57 82.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -59.79 -58.6 7.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 52' ' ' MET . 91.9 t -48.31 -62.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.465 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.7 t -44.6 -55.49 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -47.86 -43.03 28.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -64.92 -41.28 95.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.813 HG12 HD11 ' A' ' 90' ' ' LEU . 98.6 mt -54.18 -54.59 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -59.67 -41.83 91.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.44 113.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t -72.91 -58.79 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.97 -36.94 5.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -75.05 127.54 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.688 HG22 ' CE2' ' A' ' 111' ' ' PHE . 13.3 pt -113.13 -29.79 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 66' ' ' ILE . 35.4 pttt -147.76 160.71 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HB3' HD11 ' A' ' 106' ' ' ILE . 33.1 tttp -145.35 129.09 17.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -105.72 120.6 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.782 ' HB2' HG13 ' A' ' 104' ' ' VAL . 64.2 m-85 -94.62 169.14 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.402 ' O ' ' SD ' ' A' ' 73' ' ' MET . 15.2 mm-40 -112.03 138.55 21.76 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.5 Cg_endo -69.78 83.58 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.7 mpp? -77.04 -41.59 41.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -127.5 176.02 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -87.54 -34.11 18.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.0 mm -92.44 -35.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -40.9 -37.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -53.16 -55.71 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.7 t -60.78 -46.67 89.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.674 HD11 ' HE2' ' A' ' 45' ' ' LYS . 58.1 mt -52.39 -53.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.865 HD23 HG11 ' A' ' 104' ' ' VAL . 43.2 tp -56.58 -47.89 78.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -50.03 -43.69 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.88 -52.28 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.53 -37.1 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.452 HG13 ' HB2' ' A' ' 90' ' ' LEU . 73.6 t -66.47 -62.84 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -44.31 -35.51 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 75.7 t -72.06 -40.14 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -64.85 -34.16 77.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.15 34.98 2.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.813 HD11 HG12 ' A' ' 60' ' ' ILE . 85.4 mt -126.03 165.91 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.0 m -86.53 139.27 31.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 p -133.01 139.47 47.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 40.2 m-85 -156.28 127.54 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.5 p -85.72 109.27 18.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.794 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 63.5 m-85 -116.1 125.25 52.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.93 144.28 15.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.31 -43.38 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.34 166.67 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.46 -42.22 98.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -69.78 -42.2 74.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 22.6 m -89.12 113.97 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -138.18 104.73 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 3.8 p90 -95.89 165.67 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.865 HG11 HD23 ' A' ' 81' ' ' LEU . 7.7 p -113.15 131.49 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.408 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 38.9 mtp -121.58 163.46 18.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 68' ' ' LYS . 16.2 pt -143.76 144.62 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.535 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 8.9 m-85 -127.5 169.54 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.742 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 33.4 mttt -93.44 173.41 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.74 -48.13 75.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.57 -35.6 39.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.688 ' CE2' HG22 ' A' ' 66' ' ' ILE . 56.9 m-85 -94.45 18.0 12.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.89 144.66 90.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.1 Cg_endo -69.78 156.94 62.01 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 m -95.82 163.07 13.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -54.47 -67.29 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -50.96 -46.48 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 55.6 mt-10 -58.02 -42.92 86.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.9 mt -55.34 -54.09 48.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.27 -48.48 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.7 p -71.09 -24.88 62.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 4.6 m-85 -68.0 -33.74 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.866 ' HD3' HD11 ' A' ' 80' ' ' ILE . 38.2 mttm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.815 0.341 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' LYS . 92.6 t -36.08 -51.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -51.14 -54.41 25.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 65.8 t80 -56.06 -50.59 70.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -46.29 -50.24 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -56.78 -55.12 38.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 ttt85 -49.91 -46.47 51.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 29.2 mmt -59.0 -43.97 91.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.0 -46.19 71.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -67.59 -47.21 70.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -58.07 -59.42 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.6 t -48.87 -59.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 t -48.79 -59.63 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -42.62 -43.78 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 2.5 t80 -64.73 -48.47 74.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.741 HG12 HD11 ' A' ' 90' ' ' LEU . 81.7 mt -48.8 -53.77 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.77 -38.93 86.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.96 117.05 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -83.57 -48.07 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.06 -39.73 9.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -88.02 121.62 30.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.507 HG21 ' CE2' ' A' ' 111' ' ' PHE . 25.3 pt -94.13 -31.87 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.468 ' N ' HG13 ' A' ' 66' ' ' ILE . 13.3 ptpt -139.59 168.48 19.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.696 ' HB3' HD11 ' A' ' 106' ' ' ILE . 38.6 tttp -148.76 122.72 9.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -95.31 116.42 28.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.823 ' HB2' HG13 ' A' ' 104' ' ' VAL . 63.1 m-85 -85.8 168.9 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -117.8 138.54 25.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HB3' ' NH2' ' A' ' 78' ' ' ARG . 53.2 Cg_endo -69.78 80.7 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -76.68 -42.26 42.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.483 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 2.4 m120 -128.04 177.18 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -87.51 -36.04 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLU . 20.7 mm -89.1 -36.55 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.575 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 22.3 mt-10 -38.12 -35.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -53.92 -55.46 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.8 t -63.63 -48.4 77.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.866 HD11 ' HD3' ' A' ' 45' ' ' LYS . 48.1 mt -51.01 -56.58 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.863 HD23 HG11 ' A' ' 104' ' ' VAL . 31.2 tp -54.36 -43.02 70.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -52.56 -44.61 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.712 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.6 t70 -62.62 -48.81 77.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.6 t -59.5 -40.3 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.579 HG11 ' HB2' ' A' ' 92' ' ' SER . 73.4 t -67.99 -61.03 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 6.4 pt-20 -46.85 -33.15 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 83' ' ' ASP . 94.6 t -76.91 -39.86 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.623 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -59.27 -34.33 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.48 34.19 2.14 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.741 HD11 HG12 ' A' ' 60' ' ' ILE . 84.1 mt -127.24 171.05 11.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.4 m -100.3 121.18 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.579 ' HB2' HG11 ' A' ' 85' ' ' VAL . 3.0 t -115.85 153.76 30.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 37.2 m-85 -157.34 134.72 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.9 m -93.07 106.09 18.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.586 ' O ' ' CD2' ' A' ' 103' ' ' TYR . 48.7 m-85 -111.54 124.96 53.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.47 132.46 5.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -73.6 -36.64 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.14 155.29 34.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -53.41 -41.63 66.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.53 -41.97 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 22.8 m -88.02 108.63 19.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.46 ' O ' ' NE ' ' A' ' 78' ' ' ARG . 30.1 mtm180 -136.96 104.59 5.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 95' ' ' PHE . 46.7 p90 -98.26 165.71 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.863 HG11 HD23 ' A' ' 81' ' ' LEU . 7.4 p -118.93 143.57 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 42.5 mtp -126.93 159.86 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 68' ' ' LYS . 10.7 pt -137.89 147.64 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.539 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 10.6 m-85 -132.23 166.61 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.812 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 29.0 mttt -88.96 172.91 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -63.82 -52.08 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -74.68 -40.86 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.507 ' CE2' HG21 ' A' ' 66' ' ' ILE . 81.2 m-85 -90.19 17.97 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.812 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -71.08 144.83 90.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.703 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.539 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.2 Cg_endo -69.78 159.17 54.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.492 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 2.2 m -99.58 164.16 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -54.7 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -52.32 -46.39 66.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.492 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 6.3 mm-40 -57.54 -42.55 83.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.17 -51.32 68.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -55.84 -41.06 73.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 m -71.28 -40.02 71.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 23.4 m-85 -54.61 -42.99 71.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HG2' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.852 0.358 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LYS . 87.6 t -34.05 -63.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.9 -56.09 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 77' ' ' GLU . 85.4 t80 -45.93 -62.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -43.06 -46.86 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -51.88 -58.64 5.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -47.24 -51.99 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.549 ' HG3' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -51.22 -46.89 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -53.74 -47.01 71.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -48.49 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -58.12 -62.44 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.9 t -46.49 -57.37 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.8 t -45.15 -58.88 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -47.82 -44.62 28.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -63.56 -40.91 98.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.96 ' CG1' HD11 ' A' ' 90' ' ' LEU . 63.1 mt -54.01 -54.66 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -58.17 -44.59 88.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -59.23 104.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -73.63 -44.82 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.19 -39.63 5.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -87.56 131.75 34.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.455 ' HB ' ' CB ' ' A' ' 111' ' ' PHE . 7.3 pt -111.74 -24.79 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 66' ' ' ILE . 20.9 pttt -143.61 155.6 44.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -147.0 135.72 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 5.3 ttpt -106.82 131.12 54.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.634 ' HB2' HG13 ' A' ' 104' ' ' VAL . 59.9 m-85 -103.62 168.52 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -109.53 138.37 20.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.84 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.3 mtm -95.48 -42.77 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.482 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 7.4 m-20 -128.36 177.31 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -90.13 -34.23 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.8 mm -90.43 -34.94 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 48' ' ' PHE . 22.3 mt-10 -39.8 -31.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.407 ' NH2' ' HB3' ' A' ' 102' ' ' ARG . 4.7 tpp85 -58.94 -53.94 52.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.2 t -62.68 -46.52 87.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 77' ' ' GLU . 36.1 mt -54.22 -57.77 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.834 HD23 HG11 ' A' ' 104' ' ' VAL . 21.2 tp -51.81 -50.57 60.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -44.7 -55.8 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -51.91 -52.32 50.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.78 -41.17 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.422 HG13 ' HB2' ' A' ' 90' ' ' LEU . 67.5 t -60.72 -61.1 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.68 -54.87 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -56.72 -40.5 70.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.764 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -62.62 -30.52 71.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.98 30.69 5.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.96 HD11 ' CG1' ' A' ' 60' ' ' ILE . 81.2 mt -127.07 167.67 15.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.2 m -89.1 144.64 25.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.1 p -132.51 133.41 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 32.2 m-85 -150.86 131.15 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.4 m -96.84 118.95 34.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CD1' ' HB3' ' A' ' 122' ' ' ARG . 49.2 m-85 -127.84 125.13 39.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.47 138.6 9.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.13 -44.68 62.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -115.21 140.52 49.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -46.8 -46.52 20.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.12 -42.21 99.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.62 105.19 17.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.407 ' HB3' ' NH2' ' A' ' 78' ' ' ARG . 1.8 tpp85 -130.26 104.83 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 4.2 p90 -94.86 165.72 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.834 HG11 HD23 ' A' ' 81' ' ' LEU . 7.5 p -113.15 134.79 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.484 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 30.4 mtp -117.13 158.96 23.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.8 pt -140.35 147.1 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 14.7 m-85 -134.19 168.24 19.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.765 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 33.4 mttt -89.75 174.04 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -67.06 -53.72 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.39 -36.03 63.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.455 ' CB ' ' HB ' ' A' ' 66' ' ' ILE . 50.5 m-85 -94.12 18.0 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.6 143.64 90.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.3 Cg_endo -69.68 160.08 51.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -97.7 171.83 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.89 -67.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -54.23 -44.33 71.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.585 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 6.3 mm-40 -59.52 -42.17 91.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.3 mt -56.39 -53.92 51.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -54.54 -42.23 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.5 m -75.72 -17.29 59.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 7.9 m-85 -82.15 -28.15 32.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.593 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 4.6 ptp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' VAL . 8.8 mptt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' GLU . 55.6 t -34.29 -64.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' VAL . 6.3 mm-40 -34.64 -55.81 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 63.6 t80 -64.27 -48.5 75.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -48.09 -68.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -51.17 -38.66 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -59.76 -46.68 88.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.785 ' SD ' HD13 ' A' ' 81' ' ' LEU . 29.0 mmt -63.34 -41.34 98.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -55.27 -46.84 76.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -62.42 -48.28 80.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.97 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.6 t -39.88 -56.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.571 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.0 t -48.19 -57.56 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -46.91 -43.42 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.14 -40.17 95.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.772 ' CG1' HD11 ' A' ' 90' ' ' LEU . 85.9 mt -55.64 -51.94 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -60.2 -42.89 96.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.98 121.37 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.8 t -82.84 -55.73 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.73 -40.03 2.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -77.54 119.27 20.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.944 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.951 HG22 ' CE2' ' A' ' 111' ' ' PHE . 23.6 pt -98.44 -22.59 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -147.64 170.6 17.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.547 ' HB3' HD11 ' A' ' 106' ' ' ILE . 10.5 tptt -143.12 124.71 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -97.58 103.12 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.822 ' HB2' HG13 ' A' ' 104' ' ' VAL . 31.5 m-85 -82.71 145.78 29.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -92.28 138.54 24.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 102' ' ' ARG . 53.2 Cg_endo -69.84 89.92 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.634 2.223 . . . . 0.0 112.328 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -86.75 -41.93 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.4 ' O ' ' OE1' ' A' ' 77' ' ' GLU . 4.8 m120 -127.73 177.12 7.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -90.84 -28.86 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 76' ' ' ILE . 42.1 mm -93.06 -14.97 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -43.71 -25.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.553 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 8.6 tpp85 -64.72 -67.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.5 t -50.43 -47.14 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.8 mt -62.21 -68.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.857 HD23 HG11 ' A' ' 104' ' ' VAL . 49.8 tp -46.17 -54.32 8.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.531 ' CD2' ' HG3' ' A' ' 78' ' ' ARG . 8.0 m-70 -45.16 -51.12 10.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 87' ' ' VAL . 5.8 t0 -53.56 -49.85 66.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.06 -31.57 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.587 HG11 ' HB3' ' A' ' 92' ' ' SER . 98.9 t -69.76 -53.33 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 87' ' ' VAL . 3.6 pt-20 -57.7 -35.05 70.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 83' ' ' ASP . 91.0 t -69.82 -39.61 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.74 -32.16 72.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.33 36.09 2.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.772 HD11 ' CG1' ' A' ' 60' ' ' ILE . 81.6 mt -126.96 169.1 13.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.6 m -93.73 136.46 33.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.587 ' HB3' HG11 ' A' ' 85' ' ' VAL . 78.5 p -125.87 143.53 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.569 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 12.1 m-85 -151.84 149.14 28.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.4 p -106.53 111.2 23.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 92.7 m-85 -117.46 125.7 51.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.51 134.83 7.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -73.53 -38.94 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -132.59 161.78 32.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -52.68 -46.99 67.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.8 -42.15 64.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 7.3 t -86.47 103.65 15.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 72' ' ' PRO . 53.0 mtm180 -139.33 125.99 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -127.05 165.57 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.857 HG11 HD23 ' A' ' 81' ' ' LEU . 14.4 p -106.07 146.05 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.0 mtp -138.21 155.23 48.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.547 HD11 ' HB3' ' A' ' 68' ' ' LYS . 7.1 pt -137.27 144.79 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.531 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 27.7 m-85 -125.79 171.61 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.776 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 30.1 mttt -93.37 171.8 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.82 -50.56 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.65 -38.6 47.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.951 ' CE2' HG22 ' A' ' 66' ' ' ILE . 41.4 m-85 -91.06 17.95 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.89 144.58 90.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.531 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.1 Cg_endo -69.76 151.77 69.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.6 m -93.79 165.59 12.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.45 -66.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -54.22 -44.58 71.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 15.5 mm-40 -59.32 -36.14 75.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.87 -50.27 69.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.43 -42.7 74.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.1 p -73.45 -40.6 64.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 10.6 m-85 -51.84 -41.29 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 46' ' ' VAL . 36.4 mttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' LYS . 92.1 t -33.76 -60.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.47 -59.78 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 58.8 t80 -51.07 -57.49 8.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -41.87 -60.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -45.34 -56.21 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.428 ' HG2' ' HE3' ' A' ' 52' ' ' MET . 63.6 ttt-85 -48.02 -58.46 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.532 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -48.05 -45.44 32.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.557 ' HG2' HG13 ' A' ' 84' ' ' VAL . 43.0 mt-10 -53.88 -43.94 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -68.53 -48.8 63.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.39 -57.08 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.688 HG13 HD12 ' A' ' 90' ' ' LEU . 70.7 t -49.74 -57.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.624 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.5 t -47.65 -58.98 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -45.58 -42.53 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 108' ' ' LYS . 2.5 t80 -65.06 -39.94 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.948 ' CG1' HD11 ' A' ' 90' ' ' LEU . 91.2 mt -56.1 -48.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -65.02 -39.4 93.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.41 105.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 m -71.61 -54.06 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -42.65 -39.31 3.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -83.77 127.23 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.815 HG22 ' CE2' ' A' ' 111' ' ' PHE . 8.2 pt -108.95 -24.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 66' ' ' ILE . 16.8 pttp -142.08 158.26 43.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HB3' HD11 ' A' ' 106' ' ' ILE . 19.1 ttmm -143.79 137.52 28.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -101.01 128.92 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.75 ' HB2' HG13 ' A' ' 104' ' ' VAL . 22.2 m-85 -109.88 115.98 30.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' O ' ' SD ' ' A' ' 73' ' ' MET . 14.6 tm0? -63.18 138.21 97.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HD2' ' CD ' ' A' ' 71' ' ' GLN . 53.5 Cg_endo -69.79 83.65 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.5 mpp? -75.86 -42.39 49.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 3.1 m120 -128.23 177.88 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -93.22 -22.53 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 78' ' ' ARG . 34.3 mm -96.27 -30.31 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.0 pt-20 -37.82 -27.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -60.8 -53.07 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 m -69.38 -44.19 72.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mt -59.89 -61.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.719 HD23 HG11 ' A' ' 104' ' ' VAL . 16.2 tp -51.92 -43.98 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 5.3 m-70 -52.25 -48.94 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.748 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.8 t70 -58.28 -45.42 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.557 HG13 ' HG2' ' A' ' 53' ' ' GLU . 92.9 t -58.74 -40.71 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.729 HG13 ' HB2' ' A' ' 90' ' ' LEU . 90.1 t -67.97 -63.29 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 6.5 pt-20 -43.29 -36.05 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 83' ' ' ASP . 98.2 t -72.09 -41.46 67.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.6 -30.73 71.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.148 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.92 37.46 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.948 HD11 ' CG1' ' A' ' 60' ' ' ILE . 84.6 mt -126.91 166.78 16.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.2 m -96.12 147.72 23.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.8 ' OG ' HG22 ' A' ' 106' ' ' ILE . 18.2 m -148.63 151.47 35.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 45.0 m-85 -154.19 167.43 29.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 p -106.61 113.69 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 28.6 m-85 -134.9 124.87 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.11 153.84 22.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -82.22 -43.41 17.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.58 139.17 51.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -44.3 -43.1 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.58 -42.27 82.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 59.6 m -99.12 110.04 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -126.61 108.74 11.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.413 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 8.5 p90 -96.2 165.62 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.75 HG13 ' HB2' ' A' ' 70' ' ' PHE . 8.7 p -116.94 134.98 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.0 mmm -117.44 162.7 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.8 HG22 ' OG ' ' A' ' 92' ' ' SER . 12.9 pt -138.06 143.07 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.483 ' CD2' ' HD3' ' A' ' 113' ' ' PRO . 4.4 m-85 -126.23 163.72 22.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.64 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 35.2 mttt -88.56 173.03 8.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -63.79 -52.56 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -75.64 -39.84 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.815 ' CE2' HG22 ' A' ' 66' ' ' ILE . 28.6 m-85 -87.59 17.92 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.71 144.46 91.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.554 0.692 . . . . 0.0 111.155 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.483 ' HD3' ' CD2' ' A' ' 107' ' ' PHE . 54.3 Cg_endo -69.75 160.01 51.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.434 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 2.4 m -94.7 161.05 14.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -54.16 -67.37 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -52.75 -46.44 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 77.8 mt-10 -57.05 -42.38 80.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 113' ' ' PRO . 30.6 mt -56.83 -51.39 69.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -54.79 -42.78 72.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -69.54 -42.45 74.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 20.2 m-85 -51.2 -47.08 62.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HG2' HD11 ' A' ' 80' ' ' ILE . 62.4 mttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.1 t -34.34 -52.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -54.16 -56.45 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 62.6 t80 -55.58 -50.57 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -47.98 -57.09 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -50.68 -54.82 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.8 ttt85 -48.17 -47.73 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.529 ' O ' HG23 ' A' ' 56' ' ' VAL . 30.9 mmt -59.53 -43.34 93.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -53.82 -47.77 70.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -61.74 -48.68 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -60.13 -60.9 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 52' ' ' MET . 90.7 t -41.82 -58.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -47.75 -61.05 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -44.04 -41.58 5.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 1.7 t80 -68.1 -43.45 78.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.736 HD11 ' HB1' ' A' ' 88' ' ' ALA . 71.8 mt -53.5 -53.36 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.86 -42.53 98.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.81 105.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -73.73 -44.58 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.74 -40.71 33.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.23 117.96 23.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 110.942 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.661 HG21 ' CE2' ' A' ' 111' ' ' PHE . 27.7 pt -96.58 -31.04 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.447 ' N ' HG13 ' A' ' 66' ' ' ILE . 39.4 pttt -136.3 153.38 51.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HB3' ' CG1' ' A' ' 106' ' ' ILE . 30.6 tttt -131.42 140.02 49.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -113.17 110.76 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.578 ' HB2' HG13 ' A' ' 104' ' ' VAL . 67.4 m-85 -82.48 168.99 16.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' SD ' ' A' ' 73' ' ' MET . 38.2 mt-30 -110.55 138.8 21.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.432 ' HA ' ' OE2' ' A' ' 77' ' ' GLU . 53.3 Cg_endo -69.76 92.28 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 2.2 mpp? -95.7 -43.98 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.405 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 85.0 m-20 -129.23 177.66 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -91.89 -34.09 14.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' GLU . 21.4 mm -84.72 -23.14 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 17.7 pt-20 -37.55 -34.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.479 ' HG3' ' CD2' ' A' ' 82' ' ' HIS . 2.9 tpp180 -57.12 -66.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.8 m -51.38 -51.15 57.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.489 HD11 ' HG2' ' A' ' 45' ' ' LYS . 57.5 mt -57.55 -67.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.76 HD23 HG11 ' A' ' 104' ' ' VAL . 17.7 tp -46.31 -52.29 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.479 ' CD2' ' HG3' ' A' ' 78' ' ' ARG . 5.5 m-70 -48.3 -43.89 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 87' ' ' VAL . 46.8 t0 -59.08 -48.64 80.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.35 -34.07 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.423 HG13 ' HB2' ' A' ' 90' ' ' LEU . 94.5 t -69.62 -59.45 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 1.2 pp20? -48.73 -36.26 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 83' ' ' ASP . 78.6 t -70.42 -41.88 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.736 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.11 -34.52 78.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.77 37.76 2.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.703 HD11 ' CG1' ' A' ' 60' ' ' ILE . 87.7 mt -127.15 163.08 24.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.0 m -83.81 146.21 28.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 p -135.84 148.15 48.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -161.33 167.11 26.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.431 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 96.1 p -119.63 128.85 54.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -142.98 124.09 14.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.89 138.61 9.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -76.86 -44.94 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -117.66 139.62 50.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -42.36 -48.62 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -42.27 92.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 42.5 t -91.46 106.96 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -133.15 108.74 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.424 ' C ' ' CD1' ' A' ' 103' ' ' TYR . 4.0 p90 -107.57 155.19 20.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.76 HG11 HD23 ' A' ' 81' ' ' LEU . 11.4 p -102.46 134.45 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 68.1 mtp -119.39 164.0 16.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.475 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 7.2 pt -140.48 147.7 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -128.55 164.44 22.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -87.57 168.89 12.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -58.64 -58.91 6.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.56 -40.72 80.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.661 ' CE2' HG21 ' A' ' 66' ' ' ILE . 38.9 m-85 -84.95 18.0 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.92 140.14 88.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.05 54.81 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.286 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.481 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 3.2 m -94.99 164.47 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.71 -67.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -52.02 -46.92 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 64.3 mm-40 -56.79 -45.52 82.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.55 -49.18 68.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -55.48 -47.12 76.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.6 p -66.36 -42.11 88.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -50.07 -51.61 41.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 46' ' ' VAL . 31.3 mmmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 45' ' ' LYS . 96.7 t -33.46 -51.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -53.85 -57.32 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 76.7 t80 -49.8 -57.68 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -42.08 -51.36 4.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -53.57 -50.44 65.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -50.6 -52.41 39.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.535 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -53.95 -47.19 71.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -50.59 -47.19 58.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -64.9 -46.59 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.57 -65.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.2 t -42.99 -58.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.473 ' HA ' HD12 ' A' ' 60' ' ' ILE . 6.9 t -47.43 -54.81 10.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.26 -46.77 55.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -61.85 -38.64 88.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.908 ' CG1' HD11 ' A' ' 90' ' ' LEU . 94.0 mt -56.61 -57.38 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -56.82 -39.01 73.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.73 112.92 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' GLY . 52.0 m -70.59 -65.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' SER . . . -38.43 -38.39 0.63 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -74.27 116.84 15.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.843 HG22 ' CE2' ' A' ' 111' ' ' PHE . 22.5 pt -103.32 -27.88 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 66' ' ' ILE . 34.7 pttt -145.65 161.68 39.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HB3' HD11 ' A' ' 106' ' ' ILE . 20.2 tttm -145.57 132.69 20.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.476 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 28.3 tttt -102.99 143.9 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.574 ' HB2' HG13 ' A' ' 104' ' ' VAL . 63.8 m-85 -119.83 168.04 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -113.88 138.28 22.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.6 Cg_endo -69.77 92.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 11.4 mtm -91.1 -42.95 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -128.66 175.6 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -27.78 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' GLU . 19.5 mm -89.79 -30.05 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.5 pp20? -38.09 -32.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.434 ' NH2' ' HB2' ' A' ' 94' ' ' SER . 0.3 OUTLIER -58.21 -67.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.5 t -49.0 -46.98 44.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.6 mt -58.27 -68.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.73 HD23 HG11 ' A' ' 104' ' ' VAL . 38.9 tp -47.38 -45.8 25.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -55.57 -43.3 75.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.509 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.0 t0 -62.51 -48.18 80.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.66 -34.14 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 81' ' ' LEU . 98.9 t -71.41 -61.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 1.0 OUTLIER -46.34 -35.45 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 83' ' ' ASP . 76.7 t -73.98 -41.1 52.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.767 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -63.31 -33.35 75.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.58 37.39 2.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.908 HD11 ' CG1' ' A' ' 60' ' ' ILE . 82.9 mt -125.31 165.61 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.7 m -83.02 136.41 34.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.421 ' HB3' HG11 ' A' ' 85' ' ' VAL . 22.0 p -129.57 137.77 50.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.589 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 23.3 m-85 -144.92 156.49 44.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.434 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -112.67 107.28 15.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 54.8 m-85 -124.27 124.05 41.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.489 ' HA3' ' CB ' ' A' ' 102' ' ' ARG . . . -138.19 156.78 24.11 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -89.68 -29.59 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -125.49 133.21 52.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.58 -40.88 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -77.49 -42.33 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 56.9 m -110.12 111.75 23.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.489 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 7.7 ptm180 -138.48 133.95 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 103' ' ' TYR . 3.5 p90 -93.38 165.69 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.73 HG11 HD23 ' A' ' 81' ' ' LEU . 13.8 p -115.18 136.27 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.476 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 20.9 mtp -123.68 163.47 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.439 HD11 ' HB3' ' A' ' 68' ' ' LYS . 11.4 pt -142.08 146.02 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.534 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 13.4 m-85 -129.51 165.06 22.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.786 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 43.2 mttt -87.48 168.51 13.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -63.48 -48.21 78.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.39 -40.45 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.843 ' CE2' HG22 ' A' ' 66' ' ' ILE . 54.3 m-85 -90.39 17.98 6.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.61 144.57 91.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.549 0.69 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.534 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.0 Cg_endo -69.71 150.35 68.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 m -89.8 166.02 13.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -55.2 -67.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -52.44 -45.21 65.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 5.3 mm-40 -59.79 -39.95 86.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.29 -49.25 77.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -57.55 -45.29 85.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.5 p -69.42 -36.42 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 12.4 m-85 -56.41 -48.02 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.1 t -38.44 -51.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -53.42 -54.93 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 90.8 t80 -54.59 -49.14 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -47.33 -55.4 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -52.63 -50.14 63.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -50.07 -49.12 52.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.518 ' O ' HG23 ' A' ' 56' ' ' VAL . 31.9 mmt -57.77 -41.84 82.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.48 -46.33 76.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -65.56 -49.96 66.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -58.95 -63.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 52' ' ' MET . 85.3 t -44.17 -61.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.627 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.3 t -45.86 -60.53 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -41.01 -45.62 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.38 -42.46 98.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.635 ' CG1' HD11 ' A' ' 90' ' ' LEU . 95.3 mt -53.02 -55.09 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -57.84 -43.75 86.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -58.37 111.54 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -76.49 -56.35 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.29 -41.31 2.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -78.46 125.82 29.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.722 HG22 ' CE2' ' A' ' 111' ' ' PHE . 11.2 pt -107.53 -30.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' N ' HG13 ' A' ' 66' ' ' ILE . 50.0 pttt -138.86 153.21 48.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.951 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -143.32 136.91 28.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -107.16 147.25 30.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.523 ' HB2' HG13 ' A' ' 104' ' ' VAL . 56.6 m-85 -119.14 169.25 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 73' ' ' MET . 21.3 mt-30 -113.56 138.94 22.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.574 0.702 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 79.93 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.7 mpp? -74.88 -42.48 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' C ' ' HE3' ' A' ' 75' ' ' LYS . 2.7 m-80 -128.36 177.85 6.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' HE3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -93.22 -23.31 18.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' ARG . 47.6 mm -96.03 -29.79 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.0 pt-20 -38.52 -29.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 76' ' ' ILE . 14.0 mmm-85 -58.69 -55.78 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.3 t -65.29 -41.57 94.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 77' ' ' GLU . 21.0 mt -61.37 -63.04 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.791 HD23 HG11 ' A' ' 104' ' ' VAL . 23.4 tp -52.91 -41.27 64.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 11.6 m-70 -55.19 -45.7 75.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.7 t0 -62.03 -43.87 97.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.93 -38.85 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 90' ' ' LEU . 91.5 t -69.31 -59.98 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.9 pt-20 -46.91 -36.4 7.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 83' ' ' ASP . 95.6 t -72.6 -42.26 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.83 -31.58 72.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.81 39.18 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.705 ' HB2' HG13 ' A' ' 85' ' ' VAL . 99.1 mt -126.97 161.57 28.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.902 0.382 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.6 m -92.23 139.89 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -132.33 159.56 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.492 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 23.5 m-85 -159.55 169.43 23.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.3 t -123.0 126.41 47.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.602 ' O ' ' CE2' ' A' ' 103' ' ' TYR . 49.0 m-85 -146.68 123.92 11.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.28 153.13 22.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.58 -40.02 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -124.3 150.65 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -48.77 -41.43 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.17 -41.85 76.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 59.4 m -94.16 111.78 23.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -134.45 111.04 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 95' ' ' PHE . 5.0 p90 -97.27 162.13 13.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.791 HG11 HD23 ' A' ' 81' ' ' LEU . 11.0 p -112.92 138.85 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.077 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 54.9 mtp -125.53 161.03 28.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 pt -140.89 144.18 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.534 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 46.9 m-85 -132.78 162.27 31.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.763 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 37.3 mttt -81.2 174.07 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -67.46 -53.23 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.59 -38.92 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.722 ' CE2' HG22 ' A' ' 66' ' ' ILE . 49.4 m-85 -90.69 17.97 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.42 144.79 92.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.709 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.534 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.6 Cg_endo -69.82 158.29 57.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 m -101.67 170.85 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.41 -67.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.29 -48.94 70.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.595 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 44.8 mt-10 -55.19 -41.24 71.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.08 -55.18 38.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -53.66 -36.89 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.2 m -76.83 -33.96 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.595 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 15.0 m-85 -65.19 -44.63 87.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.593 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 1.0 ' HD2' HD11 ' A' ' 80' ' ' ILE . 22.1 mmtt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . 90.3 t -34.67 -65.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' VAL . 18.2 mt-10 -36.85 -60.9 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.622 ' CE1' ' CD ' ' A' ' 77' ' ' GLU . 86.2 t80 -51.93 -51.45 56.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -44.54 -52.09 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -56.12 -54.64 42.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -47.32 -46.67 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.642 ' O ' HG23 ' A' ' 56' ' ' VAL . 28.4 mmt -61.1 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -51.83 -47.23 64.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -58.02 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.02 -47.78 44.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 52' ' ' MET . 77.9 t -54.37 -63.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.97 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.6 t -46.77 -55.06 8.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -46.19 -45.62 16.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -62.86 -41.85 99.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.97 HD12 ' HA ' ' A' ' 57' ' ' SER . 43.2 mt -54.28 -54.26 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -59.68 -40.75 88.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.29 113.21 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.0 p -81.96 -47.17 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.36 -40.34 2.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.72 123.2 34.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.588 HG21 ' CE2' ' A' ' 111' ' ' PHE . 14.9 pt -96.75 -23.2 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -143.91 160.36 40.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.477 ' HB3' HD11 ' A' ' 106' ' ' ILE . 19.7 ttmm -139.76 122.7 16.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -98.98 113.54 25.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.866 ' HB2' HG13 ' A' ' 104' ' ' VAL . 49.0 m-85 -85.37 168.49 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -116.33 138.66 24.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.9 Cg_endo -69.78 81.43 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -78.18 -42.13 32.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.527 ' ND2' ' NZ ' ' A' ' 45' ' ' LYS . 12.7 t-20 -128.04 175.37 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -86.9 -36.03 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.5 ' N ' ' HG2' ' A' ' 75' ' ' LYS . 10.3 mm -88.9 -29.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.693 ' HA ' HD12 ' A' ' 80' ' ' ILE . 24.9 mt-10 -43.75 -28.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -60.61 -57.48 12.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 t -60.0 -45.42 92.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.0 HD11 ' HD2' ' A' ' 45' ' ' LYS . 17.7 mt -55.37 -62.54 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.772 HD23 HG11 ' A' ' 104' ' ' VAL . 25.2 tp -51.59 -44.49 62.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 30.9 m-70 -50.12 -53.96 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 87' ' ' VAL . 42.2 t0 -55.47 -45.05 76.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.2 t -58.97 -33.81 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.594 HG11 ' HB3' ' A' ' 92' ' ' SER . 83.2 t -71.32 -57.58 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 6.5 pt-20 -51.27 -30.88 19.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 83' ' ' ASP . 85.3 t -79.7 -39.41 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.419 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -62.01 -32.8 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.1 33.37 3.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.55 HD11 ' CG1' ' A' ' 60' ' ' ILE . 82.2 mt -124.35 169.77 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.477 HG21 ' HD2' ' A' ' 113' ' ' PRO . 74.7 m -89.08 130.77 35.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.594 ' HB3' HG11 ' A' ' 85' ' ' VAL . 45.2 p -117.35 141.17 48.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.596 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 24.7 m-85 -155.07 125.21 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.4 ' OG ' ' NE2' ' A' ' 82' ' ' HIS . 63.2 m -91.31 114.9 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.54 ' O ' ' CZ ' ' A' ' 103' ' ' TYR . 44.9 m-85 -119.28 125.13 48.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.09 130.15 4.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.3 -29.21 61.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.26 177.98 6.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.06 -46.5 9.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -61.34 -41.98 97.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 77.3 m -106.35 115.86 30.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -130.66 105.18 7.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 36.4 p90 -90.07 165.38 14.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.866 HG13 ' HB2' ' A' ' 70' ' ' PHE . 7.4 p -118.81 136.47 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 53.0 mtp -123.86 158.91 30.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 68' ' ' LYS . 8.7 pt -141.24 147.86 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.516 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 10.8 m-85 -129.66 162.35 28.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.669 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 44.8 mttt -81.55 170.94 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -60.48 -53.57 55.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.48 -40.11 62.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' A' ' 66' ' ' ILE . 62.0 m-85 -88.26 17.75 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.97 144.74 90.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.516 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.9 Cg_endo -69.7 155.44 66.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.385 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 1.9 m -100.53 165.94 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -53.42 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.27 -43.48 67.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.599 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 16.5 mm-40 -61.25 -36.66 80.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.596 HD11 ' CZ ' ' A' ' 93' ' ' PHE . 24.0 mt -62.41 -48.96 77.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -58.96 -40.36 84.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -72.67 -40.99 65.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 18.2 m-85 -53.78 -44.84 70.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' VAL . 44.0 mttt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.817 0.341 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.0 t -33.92 -58.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -54.03 -57.18 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 55.2 t80 -49.49 -58.01 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -43.45 -56.72 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -46.51 -54.48 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -50.38 -57.29 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.597 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -48.13 -43.74 31.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -56.1 -47.96 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -67.02 -47.99 69.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.4 -55.09 37.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 52' ' ' MET . 89.9 t -51.37 -61.05 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.502 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.9 t -46.5 -61.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -43.44 -41.12 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' A' ' 68' ' ' LYS . 3.8 t80 -68.18 -44.38 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.879 HG12 HD11 ' A' ' 90' ' ' LEU . 84.7 mt -53.93 -53.66 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -60.14 -44.32 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.46 111.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.1 p -77.4 -27.98 52.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.69 -34.26 86.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -86.57 120.49 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.94 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 1.005 HG22 ' CE2' ' A' ' 111' ' ' PHE . 11.9 pt -101.28 -27.87 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 66' ' ' ILE . 18.6 pttm -141.98 146.75 35.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.585 ' HB3' HD11 ' A' ' 106' ' ' ILE . 43.3 tttm -128.13 118.57 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -95.71 134.8 38.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.672 ' HB2' HG13 ' A' ' 104' ' ' VAL . 90.2 m-85 -116.75 140.05 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 38.5 tt0 -84.19 138.51 39.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.449 ' HD2' ' CG ' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.76 81.5 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.1 mtm -75.4 -43.64 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.497 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 5.4 t-20 -129.1 177.16 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -87.08 -36.87 17.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 77' ' ' GLU . 28.4 mm -88.62 -39.15 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.497 ' OE2' ' CB ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -36.82 -39.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.434 ' CG ' ' HB ' ' A' ' 104' ' ' VAL . 10.1 ttm180 -56.41 -57.83 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -53.5 -52.97 57.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.2 mt -50.66 -47.3 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.769 HD23 HG11 ' A' ' 104' ' ' VAL . 26.2 tp -58.69 -41.65 86.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -55.8 -47.78 76.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 87' ' ' VAL . 29.9 t70 -58.73 -47.23 85.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.84 -37.34 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 81' ' ' LEU . 57.5 t -69.27 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 4.9 pt-20 -46.2 -33.36 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 83' ' ' ASP . 90.4 t -74.85 -40.03 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.579 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -64.81 -33.06 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.38 36.92 2.19 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.879 HD11 HG12 ' A' ' 60' ' ' ILE . 69.4 mt -127.07 167.59 15.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 85.7 m -90.59 125.88 35.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 p -112.99 151.98 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 18.5 m-85 -161.73 162.04 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.439 ' O ' ' NH1' ' A' ' 122' ' ' ARG . 45.8 m -123.45 124.44 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.577 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 36.9 m-85 -134.79 125.1 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.05 147.88 19.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -79.31 -44.69 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 101' ' ' CYS . 7.7 t0 -116.66 142.38 46.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -44.25 -47.98 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -65.58 -42.46 91.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' ASP . 9.6 t -95.51 105.92 17.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -130.68 109.93 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 20.8 p90 -94.41 165.82 12.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.769 HG11 HD23 ' A' ' 81' ' ' LEU . 12.3 p -117.79 135.16 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 70.2 mtp -125.93 161.85 26.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' A' ' 68' ' ' LYS . 11.5 pt -140.18 149.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.531 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 5.9 m-85 -129.96 167.92 17.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.632 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 44.1 mttt -90.81 165.27 13.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -58.08 -43.36 86.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.593 ' OE1' ' CZ ' ' A' ' 111' ' ' PHE . 0.2 OUTLIER -83.28 -39.41 20.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 1.005 ' CE2' HG22 ' A' ' 66' ' ' ILE . 37.6 m-85 -90.44 17.98 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.42 145.08 92.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.531 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.7 Cg_endo -69.81 154.92 66.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -89.2 164.44 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -67.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -52.11 -44.25 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.492 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 70.6 mm-40 -60.56 -40.28 91.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.47 -53.78 54.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -52.93 -50.0 64.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.9 m -63.67 -41.02 98.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.492 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 12.4 m-85 -53.52 -39.63 64.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 94' ' ' SER . 68.7 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' VAL . 4.0 mptt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.349 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 91.1 t -35.12 -67.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -42.4 -57.79 2.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' HD2' HG21 ' A' ' 80' ' ' ILE . 33.5 t80 -48.76 -62.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.775 ' HD3' HG23 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -36.02 -56.15 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -50.69 -52.46 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -56.78 -46.83 81.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.565 ' O ' HG23 ' A' ' 56' ' ' VAL . 27.3 mmt -62.11 -39.73 93.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.622 ' OE1' HG13 ' A' ' 84' ' ' VAL . 13.3 mm-40 -64.24 -54.49 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -56.72 -44.98 82.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.58 -59.77 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 52' ' ' MET . 79.7 t -45.43 -59.26 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -43.53 -56.0 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -48.74 -41.71 32.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.3 t80 -68.76 -43.09 76.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.759 ' CG1' HD11 ' A' ' 90' ' ' LEU . 84.7 mt -55.28 -52.67 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -59.74 -45.51 92.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.81 106.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.6 p -76.34 -23.24 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.35 -36.71 93.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -90.66 119.16 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.754 HG22 ' CE2' ' A' ' 111' ' ' PHE . 23.4 pt -95.22 -27.95 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.417 ' N ' HG13 ' A' ' 66' ' ' ILE . 12.7 ptpt -143.56 161.66 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.478 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 26.4 ttpt -149.69 140.79 22.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HE3' ' CD2' ' A' ' 103' ' ' TYR . 73.0 tttt -106.51 137.61 44.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.701 ' HB2' HG13 ' A' ' 104' ' ' VAL . 57.6 m-85 -114.66 118.39 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -63.13 139.03 97.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 79.98 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 21.3 mtm -76.75 -42.36 41.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -128.06 177.57 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -93.08 -29.92 15.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.3 mm -95.8 -24.31 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.9 pt-20 -42.61 -27.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -64.88 -55.29 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.3 t -57.6 -41.92 82.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.775 HG23 ' HD3' ' A' ' 49' ' ' ARG . 41.8 mt -63.28 -56.51 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.707 HD23 HG11 ' A' ' 104' ' ' VAL . 38.6 tp -56.5 -42.89 79.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.532 ' CD2' ' HB3' ' A' ' 92' ' ' SER . 5.6 m80 -53.23 -54.54 34.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 87' ' ' VAL . 19.6 t70 -54.42 -44.05 72.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.622 HG13 ' OE1' ' A' ' 53' ' ' GLU . 87.2 t -60.13 -38.52 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.694 HG13 ' HB2' ' A' ' 90' ' ' LEU . 74.1 t -69.6 -60.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.7 pt-20 -45.8 -35.26 4.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 83' ' ' ASP . 95.0 t -74.52 -38.97 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.683 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.08 -31.91 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.27 35.01 2.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.759 HD11 ' CG1' ' A' ' 60' ' ' ILE . 93.8 mt -127.02 168.09 15.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.0 m -100.65 136.51 40.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.532 ' HB3' ' CD2' ' A' ' 82' ' ' HIS . 1.1 t -127.96 159.0 36.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 46.0 m-85 -163.01 160.56 24.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -115.17 119.86 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.599 ' O ' ' CE2' ' A' ' 103' ' ' TYR . 31.0 m-85 -136.45 123.71 21.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.26 153.56 22.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -76.39 -35.38 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -125.77 137.17 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -42.76 -37.18 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -67.83 -42.25 81.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 86.3 m -102.46 117.85 35.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -141.94 108.91 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 95' ' ' PHE . 21.4 p90 -90.03 165.93 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.707 HG11 HD23 ' A' ' 81' ' ' LEU . 7.4 p -115.3 112.01 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.2 mmm -97.36 163.16 13.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.447 HG22 ' OG ' ' A' ' 92' ' ' SER . 5.6 pt -143.73 137.57 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.532 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 9.4 m-85 -121.66 166.48 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.683 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 30.7 mttt -87.78 173.85 8.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -63.47 -49.08 75.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -79.22 -38.66 35.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.754 ' CE2' HG22 ' A' ' 66' ' ' ILE . 63.3 m-85 -89.47 17.94 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.82 144.63 90.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 0.0 111.153 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.532 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.5 Cg_endo -69.77 152.1 69.19 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.719 2.28 . . . . 0.0 112.297 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.6 m -92.83 166.36 12.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -55.78 -67.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -52.89 -41.66 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 19.8 mm-40 -63.29 -38.84 92.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.64 -48.69 80.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.79 -43.33 94.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.8 p -68.91 -39.22 79.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.539 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 17.6 m-85 -56.34 -44.7 80.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.457 ' HG2' HD11 ' A' ' 80' ' ' ILE . 3.4 mptt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 t -44.71 -68.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -45.49 -47.02 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -56.17 -51.68 67.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -48.46 -53.1 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -51.86 -49.87 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -55.48 -43.11 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.704 ' O ' HG23 ' A' ' 56' ' ' VAL . 32.6 mmt -63.18 -44.86 94.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HG2' HG13 ' A' ' 84' ' ' VAL . 20.5 mt-10 -53.95 -45.39 71.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.489 ' CD ' ' C ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -63.52 -58.24 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -49.3 -49.46 43.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 52' ' ' MET . 87.4 t -55.65 -61.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.802 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.7 t -44.41 -56.82 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -46.68 -46.53 20.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.8 t80 -64.3 -36.97 85.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 57' ' ' SER . 94.1 mt -56.06 -56.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -58.54 -44.63 89.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.99 120.48 6.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.4 p -87.83 -48.17 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.42 -39.7 4.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -86.9 131.58 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 1.087 HG22 ' CE2' ' A' ' 111' ' ' PHE . 11.9 pt -106.34 -22.95 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -147.07 161.99 39.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HB3' HD11 ' A' ' 106' ' ' ILE . 63.4 tttt -136.22 129.45 31.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -103.61 121.28 42.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.739 ' HB2' HG13 ' A' ' 104' ' ' VAL . 48.6 m-85 -100.82 158.23 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -100.01 137.95 20.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.727 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 80.73 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.1 mtm -83.01 -42.84 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -128.59 158.16 39.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -76.92 -33.96 57.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.0 mm -91.12 -15.81 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.96 -37.31 63.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.593 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 4.9 mtm105 -59.98 -44.48 94.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -63.58 -55.46 23.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.457 HD11 ' HG2' ' A' ' 45' ' ' LYS . 52.8 mt -54.39 -55.5 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 85' ' ' VAL . 17.2 tp -59.08 -37.83 78.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 9.2 m-70 -55.55 -44.84 77.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.2 t70 -66.88 -42.43 85.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.525 HG13 ' HG2' ' A' ' 53' ' ' GLU . 98.4 t -58.91 -36.4 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 81' ' ' LEU . 93.3 t -72.59 -62.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -46.94 -33.98 5.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 83' ' ' ASP . 76.5 t -73.58 -44.26 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -59.57 -32.58 70.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.14 37.2 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.733 HD11 HG12 ' A' ' 60' ' ' ILE . 89.7 mt -127.01 170.89 11.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.2 m -91.8 140.03 30.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.5 p -130.19 142.62 50.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -157.45 135.24 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.2 p -93.1 113.62 25.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.593 ' O ' ' CE1' ' A' ' 103' ' ' TYR . 70.6 m-85 -121.59 124.04 43.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.12 152.84 22.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -85.38 -38.06 19.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.75 137.29 53.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 99' ' ' ASP . 5.9 t0 -45.06 -42.8 8.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -66.45 -42.25 87.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 11.1 t -110.01 107.93 17.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.407 ' CD ' HH21 ' A' ' 78' ' ' ARG . 10.5 ptt180 -132.06 120.81 22.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 25.1 p90 -96.29 165.52 12.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.739 HG13 ' HB2' ' A' ' 70' ' ' PHE . 4.3 p -110.6 138.54 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.6 mtp -128.92 162.01 28.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 68' ' ' LYS . 19.4 pt -140.54 143.38 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.75 162.37 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 39.3 mttt -82.87 174.11 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -66.33 -49.82 65.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.94 -40.4 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 1.087 ' CE2' HG22 ' A' ' 66' ' ' ILE . 58.0 m-85 -86.37 18.02 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.43 144.71 92.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 111.079 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.456 ' CG ' HD21 ' A' ' 118' ' ' LEU . 53.9 Cg_endo -69.77 158.71 56.01 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 m -91.21 161.54 15.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.86 -66.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -52.09 -47.99 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.47 -43.42 79.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.456 HD21 ' CG ' ' A' ' 113' ' ' PRO . 29.4 mt -54.91 -52.05 64.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -53.46 -48.61 68.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.7 m -67.58 -34.35 76.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -56.19 -45.36 79.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' VAL . 42.8 mttp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' LYS . 71.9 t -36.05 -68.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -45.03 -62.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 92.0 t80 -43.12 -55.34 3.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -44.68 -58.47 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -46.05 -52.01 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -50.41 -57.2 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -50.74 -46.82 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -52.27 -41.68 63.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -69.75 -47.52 62.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.96 -54.74 43.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.5 t -52.92 -59.56 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.626 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.9 t -43.38 -55.7 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -49.17 -44.61 42.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -65.86 -39.48 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.838 HG12 HD11 ' A' ' 90' ' ' LEU . 85.1 mt -54.49 -61.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -55.84 -46.47 78.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -59.88 116.12 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.2 m -76.86 -49.82 14.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.6 -40.31 2.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -81.47 116.41 21.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.607 HG22 ' CE2' ' A' ' 111' ' ' PHE . 12.0 pt -99.99 -17.73 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' HD2' ' CE ' ' A' ' 105' ' ' MET . 20.6 pttp -153.95 157.38 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HB3' HD11 ' A' ' 106' ' ' ILE . 41.7 tttt -136.14 116.08 13.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.5 ' HE2' ' CG ' ' A' ' 103' ' ' TYR . 9.8 tmtt? -95.84 115.5 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.62 ' HB2' HG13 ' A' ' 104' ' ' VAL . 87.7 m-85 -93.13 147.91 22.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -85.32 138.39 36.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.57 0.7 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 80.2 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.5 mtm -83.38 -42.61 16.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -128.38 156.15 43.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -27.96 58.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.2 mm -95.71 -14.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -56.84 -36.03 69.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' O ' ' ND1' ' A' ' 82' ' ' HIS . 4.5 mtm105 -60.3 -44.03 95.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -63.7 -57.47 9.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.8 mt -52.98 -60.12 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.821 HD23 HG11 ' A' ' 104' ' ' VAL . 22.3 tp -52.4 -42.02 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.401 ' ND1' ' O ' ' A' ' 78' ' ' ARG . 3.9 m170 -51.85 -59.27 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.4 t70 -50.46 -45.19 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.0 t -58.14 -37.46 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 81' ' ' LEU . 86.9 t -65.88 -38.7 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.23 -49.33 64.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 83' ' ' ASP . 51.5 t -57.22 -39.87 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.801 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.01 -34.91 79.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.88 37.19 2.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.838 HD11 HG12 ' A' ' 60' ' ' ILE . 96.2 mt -126.51 160.47 30.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -77.61 145.12 36.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.534 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -124.73 153.99 41.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 92' ' ' SER . 32.2 m-85 -168.38 162.34 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.95 123.63 22.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 20.2 m-85 -133.14 128.31 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.09 153.62 22.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -86.39 -28.05 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -124.15 129.63 51.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -43.4 -34.38 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.51 -42.2 53.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 41.5 t -103.33 117.22 34.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -140.54 117.57 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.5 ' CG ' ' HE2' ' A' ' 69' ' ' LYS . 4.1 p90 -90.02 165.11 14.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.821 HG11 HD23 ' A' ' 81' ' ' LEU . 10.8 p -111.04 122.76 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.5 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 45.2 mtp -115.91 146.18 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 68' ' ' LYS . 13.1 pt -124.15 146.35 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.14 166.45 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.654 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 32.5 mttt -88.93 174.24 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -68.64 -46.82 68.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.05 -40.24 28.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.607 ' CE2' HG22 ' A' ' 66' ' ' ILE . 45.6 m-85 -87.49 18.01 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.3 144.94 92.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.443 ' HG2' HD21 ' A' ' 118' ' ' LEU . 54.0 Cg_endo -69.73 160.04 51.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -95.41 164.05 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.51 -66.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.5 -44.47 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 56.7 mm-40 -60.55 -36.44 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.443 HD21 ' HG2' ' A' ' 113' ' ' PRO . 31.4 mt -62.81 -46.93 85.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -59.24 -43.2 92.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.3 m -71.36 -41.79 69.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 14.3 m-85 -51.42 -47.9 62.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mtp-105 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.496 ' HD2' HD11 ' A' ' 80' ' ' ILE . 35.4 mmtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.843 0.354 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.463 ' C ' ' O ' ' A' ' 45' ' ' LYS . 86.3 t -33.04 -65.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -43.54 -58.75 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 77' ' ' GLU . 75.2 t80 -45.55 -55.88 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -47.21 -46.01 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -55.59 26.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -48.68 -54.51 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.447 ' HE3' ' N ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -50.03 -48.35 52.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.79 -48.51 59.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -65.52 -45.58 82.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -61.51 -65.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.2 t -42.39 -56.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 t -46.65 -55.92 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -48.15 -43.21 31.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 1.5 t80 -65.96 -42.62 89.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.797 HD11 ' HB1' ' A' ' 88' ' ' ALA . 95.9 mt -56.13 -56.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -56.15 -45.78 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.57 ' CG ' ' NE2' ' A' ' 65' ' ' GLN . 3.4 t0 -61.01 112.4 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.7 t -69.97 -49.07 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.86 -39.29 11.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.57 ' NE2' ' CG ' ' A' ' 62' ' ' ASP . 2.0 mp0 -72.91 120.26 18.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 1.104 HG22 ' CE2' ' A' ' 111' ' ' PHE . 7.6 pt -106.0 -28.26 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 66' ' ' ILE . 11.0 ptpt -151.12 160.35 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.612 ' HB3' HD11 ' A' ' 106' ' ' ILE . 41.4 tttp -145.62 129.23 17.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -112.75 108.42 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -82.37 169.12 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -103.17 139.76 20.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.7 mtm -95.28 -44.65 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -130.11 177.2 7.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -90.22 -35.72 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.7 mm -85.05 -37.57 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.652 ' HA ' HD12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -40.61 -33.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.499 ' CD ' ' HB ' ' A' ' 104' ' ' VAL . 12.4 mmp_? -60.36 -64.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 t -47.16 -45.93 23.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 77' ' ' GLU . 10.6 mt -59.97 -56.61 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.837 HD23 HG11 ' A' ' 104' ' ' VAL . 24.3 tp -52.12 -42.21 63.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -54.96 -53.39 56.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 87' ' ' VAL . 5.6 t0 -53.74 -45.54 70.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.3 t -56.69 -38.5 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.714 HG13 ' HB2' ' A' ' 90' ' ' LEU . 95.8 t -68.83 -65.56 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.9 pt-20 -41.17 -35.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 83' ' ' ASP . 90.9 t -73.66 -41.01 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.797 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -64.29 -34.43 78.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.03 35.36 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.714 ' HB2' HG13 ' A' ' 85' ' ' VAL . 58.7 mt -126.93 170.01 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.7 m -95.59 120.47 35.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.1 p -108.82 146.23 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.579 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 14.4 m-85 -153.57 168.39 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.8 p -125.27 109.68 13.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.596 ' CE1' ' HG2' ' A' ' 122' ' ' ARG . 95.1 m-85 -122.91 124.07 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.99 142.83 13.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -73.36 -41.78 63.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -116.26 165.89 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.94 -42.84 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -69.97 -42.14 73.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 10.5 t -96.38 115.76 27.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 61.3 mtm-85 -136.2 104.89 5.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 23.6 p90 -89.78 166.21 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.837 HG11 HD23 ' A' ' 81' ' ' LEU . 7.4 p -115.34 146.24 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 60.9 mtp -131.56 151.27 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.612 HD11 ' HB3' ' A' ' 68' ' ' LYS . 23.3 pt -131.88 144.61 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.526 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 8.8 m-85 -131.36 157.41 43.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 47.8 mttt -84.16 172.93 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -55.65 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -72.97 -40.48 65.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 1.104 ' CE2' HG22 ' A' ' 66' ' ' ILE . 44.4 m-85 -86.45 18.05 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.34 144.56 92.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.526 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.9 Cg_endo -69.8 159.81 52.02 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 13.8 m -95.27 162.31 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -54.64 -67.5 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -52.13 -47.67 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.478 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 5.7 mm-40 -56.54 -42.55 78.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.0 mt -56.1 -50.07 72.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -57.44 -39.5 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.3 t -69.9 -45.7 67.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -52.9 -45.84 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.596 ' HG2' ' CE1' ' A' ' 95' ' ' PHE . 38.4 mtt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.946 ' NZ ' HG21 ' A' ' 76' ' ' ILE . 12.5 mtpp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.823 0.344 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.3 t -41.05 -65.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -41.28 -50.51 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.618 ' HD2' HG21 ' A' ' 80' ' ' ILE . 88.3 t80 -57.95 -43.43 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -52.21 -51.36 58.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -57.02 -49.55 75.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -49.16 -46.96 46.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.405 ' HB2' HG21 ' A' ' 84' ' ' VAL . 25.1 mmt -60.84 -41.65 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -53.86 -47.73 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -65.05 -45.75 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -60.37 -62.18 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.419 ' CG1' HD12 ' A' ' 90' ' ' LEU . 70.1 t -45.86 -56.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.541 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.6 t -45.23 -53.34 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -49.92 -45.33 50.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 2.7 t80 -62.82 -38.83 92.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.025 ' CG1' HD11 ' A' ' 90' ' ' LEU . 81.1 mt -56.11 -53.33 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.29 -42.01 90.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -60.55 115.33 3.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -72.81 -60.01 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.29 -38.0 1.8 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -74.28 123.11 23.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.48 HG13 ' N ' ' A' ' 67' ' ' LYS . 13.6 pt -117.96 -29.4 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.48 ' N ' HG13 ' A' ' 66' ' ' ILE . 43.2 pttt -156.77 144.56 19.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 69' ' ' LYS . 29.9 tttp -153.17 147.18 25.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.488 ' CB ' ' HG2' ' A' ' 105' ' ' MET . 8.3 pttm -114.22 129.03 56.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.48 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 57.1 m-85 -89.98 137.67 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.411 ' O ' ' SD ' ' A' ' 73' ' ' MET . 52.6 mm-40 -63.64 139.68 97.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -88.15 -44.85 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -130.46 172.42 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -80.7 -27.18 37.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.946 HG21 ' NZ ' ' A' ' 45' ' ' LYS . 40.9 mm -95.15 -29.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 1.6 pp20? -33.68 -38.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.479 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 32.1 ttp85 -60.11 -54.11 49.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' ILE . 9.6 m -58.89 -52.3 66.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.618 HG21 ' HD2' ' A' ' 48' ' ' PHE . 31.0 mt -50.91 -62.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.797 HD23 HG11 ' A' ' 104' ' ' VAL . 46.3 tp -51.49 -45.65 62.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 21.2 m-70 -48.62 -43.45 36.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.654 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.9 t0 -67.67 -42.41 82.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.405 HG21 ' HB2' ' A' ' 52' ' ' MET . 78.6 t -62.14 -40.69 88.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.17 -60.64 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.8 pt-20 -47.23 -37.95 11.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 83' ' ' ASP . 85.1 t -72.4 -41.03 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.2 -31.59 72.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.49 34.73 3.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.53 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.025 HD11 ' CG1' ' A' ' 60' ' ' ILE . 87.1 mt -126.95 166.08 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.423 ' CG2' ' CE2' ' A' ' 93' ' ' PHE . 22.0 m -83.36 131.56 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 p -118.21 146.8 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.512 ' CE2' ' HG2' ' A' ' 113' ' ' PRO . 37.3 m-85 -160.23 167.76 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.7 m -132.66 116.06 16.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 93' ' ' PHE . 88.9 m-85 -125.81 124.89 41.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.08 136.36 8.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.51 -45.26 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -117.65 162.43 18.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.8 -40.29 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 32.4 t -90.63 109.77 20.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -132.14 105.74 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 9.1 p90 -108.11 151.94 25.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.797 HG11 HD23 ' A' ' 81' ' ' LEU . 13.9 p -92.02 156.41 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.488 ' HG2' ' CB ' ' A' ' 69' ' ' LYS . 10.7 mtp -140.58 160.73 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.8 pt -144.7 138.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.23 172.26 8.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.588 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 37.0 mttt -92.32 173.02 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.41 -47.49 76.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.21 -39.62 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -87.22 17.98 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.16 144.15 92.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.512 ' HG2' ' CE2' ' A' ' 93' ' ' PHE . 53.8 Cg_endo -69.75 159.81 52.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.302 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 m -96.34 164.53 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -55.22 -67.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.28 -46.16 69.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 76.3 mm-40 -57.8 -40.66 80.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.52 -50.6 73.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -55.34 -43.29 74.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.6 m -70.59 -40.03 73.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 15.0 m-85 -52.81 -50.22 64.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' VAL . 23.6 mmtm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' LYS . 85.2 t -33.7 -59.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' VAL . 73.1 mt-10 -37.9 -59.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 88.0 t80 -51.78 -52.4 49.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -40.85 -54.86 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -57.44 -52.23 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -51.56 -40.02 58.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.602 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 34.5 mmt -67.24 -43.43 81.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HG2' HG13 ' A' ' 84' ' ' VAL . 57.1 mt-10 -54.27 -41.65 69.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -67.65 -48.48 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.48 -57.84 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 52' ' ' MET . 96.9 t -47.97 -60.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.7 t -47.27 -58.32 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -44.44 -44.0 8.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -65.56 -44.62 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.873 HG12 HD11 ' A' ' 90' ' ' LEU . 85.5 mt -53.73 -59.33 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -56.83 -43.06 80.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.39 110.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -63.61 -54.46 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.56 -39.63 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -73.14 121.98 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 67' ' ' LYS . 8.0 pt -114.98 -26.55 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 66' ' ' ILE . 43.9 pttt -154.14 148.6 26.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.732 ' HB3' HD11 ' A' ' 106' ' ' ILE . 46.7 tttm -139.39 143.89 37.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -123.42 121.2 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.552 ' HB2' HG13 ' A' ' 104' ' ' VAL . 87.4 m-85 -91.15 169.23 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.416 ' O ' ' SD ' ' A' ' 73' ' ' MET . 11.0 mm100 -105.18 138.77 19.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.1 Cg_endo -69.81 82.73 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.416 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 2.5 mpp? -77.03 -45.14 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.51 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 3.4 m120 -130.7 177.82 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -91.1 -29.15 17.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.555 HG22 HD11 ' A' ' 80' ' ' ILE . 33.2 mm -87.16 -43.73 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.879 ' HA ' HD12 ' A' ' 80' ' ' ILE . 5.9 mm-40 -39.83 -31.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' NH2' ' C ' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -55.77 -61.22 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.6 t -56.95 -42.67 80.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.879 HD12 ' HA ' ' A' ' 77' ' ' GLU . 16.8 mt -57.56 -59.97 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.871 HD23 HG11 ' A' ' 104' ' ' VAL . 36.5 tp -51.39 -43.26 61.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.426 ' NE2' ' HD2' ' A' ' 78' ' ' ARG . 3.2 m-70 -55.66 -42.98 75.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.74 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.4 t70 -61.99 -45.39 93.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.428 HG13 ' HG2' ' A' ' 53' ' ' GLU . 88.9 t -63.16 -35.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 81' ' ' LEU . 69.5 t -70.46 -56.66 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -51.85 -34.55 41.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 83' ' ' ASP . 86.6 t -71.47 -43.19 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.89 -33.59 75.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.55 37.49 1.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.873 HD11 HG12 ' A' ' 60' ' ' ILE . 84.5 mt -126.74 163.82 22.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -86.46 145.69 26.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.6 p -139.01 141.38 38.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 35.9 m-85 -151.38 153.79 35.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.7 p -111.62 110.76 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 43.1 m-85 -126.99 123.9 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.37 166.55 25.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -82.23 -37.92 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -129.53 153.88 47.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -46.13 -50.44 15.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -65.01 -42.19 94.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.42 104.81 17.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.411 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 43.5 mtp180 -138.06 116.2 11.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.552 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 4.0 p90 -101.79 165.3 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.871 HG11 HD23 ' A' ' 81' ' ' LEU . 11.9 p -109.21 144.22 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.6 mtp -130.74 163.78 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.732 HD11 ' HB3' ' A' ' 68' ' ' LYS . 17.9 pt -142.93 146.98 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.461 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 18.4 m-85 -135.25 164.79 26.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 34.2 mttt -89.25 174.26 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -63.46 -58.13 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -72.1 -40.49 68.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.407 ' CG ' ' HB ' ' A' ' 66' ' ' ILE . 25.7 m-85 -84.93 17.95 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -69.75 143.71 92.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.572 0.701 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.461 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.8 Cg_endo -69.82 159.91 51.62 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 m -95.93 166.39 11.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -56.57 -65.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -52.69 -49.26 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 5.1 mm-40 -56.49 -44.98 81.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.3 mt -52.59 -49.11 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -63.45 -38.46 91.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.1 m -74.12 -25.55 59.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 15.4 m-85 -73.45 -47.63 40.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.545 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' VAL . 16.6 mttm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' LYS . 70.4 t -34.68 -66.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -45.64 -55.68 6.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 68.1 t80 -52.15 -60.81 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 -40.45 -48.64 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -55.36 -54.44 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -49.43 -51.62 34.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.591 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -51.79 -46.54 64.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -55.74 -41.49 74.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -50.22 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.42 -54.71 42.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 52' ' ' MET . 98.4 t -54.97 -61.14 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.739 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.8 t -44.32 -58.1 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -46.25 -44.36 16.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.0 -43.15 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' A' ' 57' ' ' SER . 61.1 mt -53.43 -59.52 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -53.7 -42.37 67.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.92 121.98 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 t -83.68 -61.84 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -39.18 -39.68 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -82.48 118.7 23.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.484 HG22 ' CE2' ' A' ' 111' ' ' PHE . 25.1 pt -100.15 -29.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 66' ' ' ILE . 50.7 pttt -143.07 153.8 43.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HB3' HD11 ' A' ' 106' ' ' ILE . 42.2 tttm -134.56 139.52 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.485 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 1.4 ttpm? -108.04 125.78 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.815 ' HB2' HG13 ' A' ' 104' ' ' VAL . 42.7 m-85 -96.34 161.72 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.447 ' NE2' ' HD2' ' A' ' 72' ' ' PRO . 14.9 tm0? -107.67 136.21 19.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HD2' ' NE2' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.79 83.28 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.6 mtm -82.7 -42.42 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -128.24 177.79 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -91.29 -32.2 15.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.0 mm -91.66 -30.19 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.6 pt-20 -39.64 -30.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.431 ' N ' ' HG3' ' A' ' 77' ' ' GLU . 37.9 ttp85 -64.27 -57.2 10.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -54.71 -47.91 73.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.1 mt -59.77 -58.06 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.675 HD23 HG11 ' A' ' 104' ' ' VAL . 20.3 tp -51.89 -43.63 63.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -54.96 -47.06 75.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.678 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.3 t0 -57.48 -47.17 82.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.1 t -60.71 -36.48 71.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.55 HG13 ' HB2' ' A' ' 90' ' ' LEU . 84.7 t -69.57 -57.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 10.2 pt-20 -49.58 -34.11 16.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 83' ' ' ASP . 84.2 t -75.01 -41.78 45.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.63 75.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.09 40.34 1.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.609 HD11 ' CG1' ' A' ' 60' ' ' ILE . 91.9 mt -126.86 169.68 13.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.8 m -92.96 134.26 35.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 92.8 p -123.18 127.77 49.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 29.5 m-85 -142.84 125.54 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -86.41 112.41 21.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 57.7 m-85 -118.99 124.41 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.49 141.66 12.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -76.66 -36.31 57.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.443 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 10.7 p-10 -130.97 154.98 47.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -41.2 93.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.93 -42.61 94.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.3 t -110.32 113.74 26.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpt85 -128.33 104.69 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 20.1 p90 -93.93 160.33 14.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.815 HG13 ' HB2' ' A' ' 70' ' ' PHE . 8.8 p -110.66 141.94 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.485 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 47.2 mtp -127.05 164.0 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 68' ' ' LYS . 7.7 pt -141.95 142.33 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -127.1 157.52 39.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 40.9 mttt -79.09 174.3 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -58.4 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -69.34 -36.77 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.484 ' CE2' HG22 ' A' ' 66' ' ' ILE . 51.0 m-85 -91.46 17.97 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -69.6 144.81 94.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 111.067 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.428 ' HG2' HD21 ' A' ' 118' ' ' LEU . 53.8 Cg_endo -69.76 155.9 64.75 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 m -89.69 165.44 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -67.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.7 -46.99 59.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 52.7 mt-10 -58.55 -45.06 89.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.428 HD21 ' HG2' ' A' ' 113' ' ' PRO . 19.4 mt -51.91 -50.8 60.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.58 -57.36 12.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 p -58.63 -34.11 70.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 6.7 m-85 -56.75 -48.06 78.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.943 ' HD2' HD11 ' A' ' 80' ' ' ILE . 21.6 mmtm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' LYS . 96.4 t -35.12 -66.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' VAL . 40.3 mt-10 -36.09 -58.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 77' ' ' GLU . 94.4 t80 -54.81 -43.7 73.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -48.89 -51.41 30.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -59.88 -48.24 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -53.97 -40.37 66.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.649 ' SD ' HD13 ' A' ' 81' ' ' LEU . 27.5 mmt -67.6 -37.94 83.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.13 -42.02 89.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -67.68 -48.35 66.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.13 -52.98 62.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 52' ' ' MET . 79.2 t -54.11 -62.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.853 ' HA ' HD12 ' A' ' 60' ' ' ILE . 7.4 t -41.5 -56.72 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -47.74 -46.5 30.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.472 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -63.42 -33.66 76.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 57' ' ' SER . 83.3 mt -60.46 -58.0 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -55.91 -45.66 78.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.05 117.07 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 t -82.67 -48.65 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.99 -37.34 4.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -82.63 124.89 30.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.986 HG22 ' CE2' ' A' ' 111' ' ' PHE . 14.2 pt -108.37 -28.58 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' N ' HG13 ' A' ' 66' ' ' ILE . 22.7 pttp -144.64 155.96 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -138.21 144.58 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.474 ' HD3' ' CG ' ' A' ' 103' ' ' TYR . 0.4 OUTLIER -117.2 103.04 9.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.637 ' HB2' HG13 ' A' ' 104' ' ' VAL . 71.4 m-85 -84.26 138.97 32.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -79.73 138.88 54.15 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD3' ' HB3' ' A' ' 103' ' ' TYR . 54.0 Cg_endo -69.78 79.79 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 mtm -74.05 -44.24 54.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -129.73 177.19 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -86.68 -47.78 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 78' ' ' ARG . 1.4 mt -78.17 -34.42 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.654 ' HA ' HD12 ' A' ' 80' ' ' ILE . 26.4 mt-10 -38.99 -30.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' ILE . 20.0 ttp180 -64.96 -54.93 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -57.42 -45.49 84.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.943 HD11 ' HD2' ' A' ' 45' ' ' LYS . 12.2 mt -57.84 -53.28 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.673 HD23 HG11 ' A' ' 104' ' ' VAL . 33.4 tp -55.53 -43.43 75.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.499 ' CE1' ' HB2' ' A' ' 92' ' ' SER . 17.5 m-70 -53.82 -48.95 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.604 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.7 t0 -58.94 -45.62 89.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.1 t -63.12 -36.53 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 81' ' ' LEU . 95.2 t -72.13 -56.79 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -50.43 -35.02 26.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 83' ' ' ASP . 72.2 t -74.36 -40.07 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -60.93 -31.09 70.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.43 34.08 2.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.731 HD11 HG12 ' A' ' 60' ' ' ILE . 88.3 mt -126.96 169.63 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.5 m -89.72 146.45 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.499 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . 29.1 p -132.23 134.59 45.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 14.0 m-85 -156.74 132.45 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -99.34 136.16 39.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 62.5 m-85 -141.75 123.92 15.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.53 157.25 24.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -84.87 -28.96 25.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -119.6 150.35 40.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.81 -35.15 74.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -80.52 -42.26 22.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 85.5 m -96.17 109.66 22.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -142.15 117.68 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.552 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 3.4 p90 -90.06 164.68 14.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.673 HG11 HD23 ' A' ' 81' ' ' LEU . 14.1 p -109.06 123.74 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 16.2 mtp -111.95 161.44 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.1 pt -140.76 141.74 31.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.427 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 4.3 m-85 -122.62 167.65 13.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.649 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 45.8 mttt -93.44 170.55 9.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -61.78 -48.15 81.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -78.87 -37.46 40.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.986 ' CE2' HG22 ' A' ' 66' ' ' ILE . 50.1 m-85 -91.79 18.02 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.85 144.73 90.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.427 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.7 Cg_endo -69.77 154.63 67.47 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.416 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 3.3 m -89.93 161.13 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -54.52 -67.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -51.02 -46.45 61.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.439 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 62.8 mm-40 -58.13 -42.42 85.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.482 HD13 ' CZ ' ' A' ' 93' ' ' PHE . 31.0 mt -56.34 -49.04 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -56.09 -49.17 74.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.4 p -67.27 -34.52 77.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 9.0 m-85 -56.89 -44.72 82.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -127.62 168.3 15.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.0 t -98.21 112.22 24.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.27 101.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.1 p -145.86 136.05 23.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 43' ' ' GLY . 90.9 p -148.2 169.15 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' SER . . . 35.12 66.72 0.33 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -118.99 176.58 5.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -42.91 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.0 t -39.11 -65.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -48.85 -46.42 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CD1' ' OE2' ' A' ' 77' ' ' GLU . 80.7 t80 -55.51 -50.21 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -51.06 -57.39 8.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -47.0 -51.54 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -54.4 -42.0 69.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.612 ' SD ' HD13 ' A' ' 81' ' ' LEU . 34.4 mmt -63.63 -42.82 98.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -55.68 -46.28 77.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -65.27 -46.06 82.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.46 -58.91 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 52' ' ' MET . 81.4 t -46.82 -61.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.495 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.6 t -47.55 -54.1 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -48.91 -43.0 38.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.67 -40.21 88.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.929 ' CG1' HD11 ' A' ' 90' ' ' LEU . 79.0 mt -57.42 -54.85 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -57.99 -42.62 85.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.56 114.61 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m -74.84 -48.77 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.52 -41.6 12.72 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.93 117.54 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.463 HG22 ' CE2' ' A' ' 111' ' ' PHE . 6.9 pt -99.8 -20.1 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -156.02 168.87 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.556 ' HB3' HD11 ' A' ' 106' ' ' ILE . 7.9 ttmt -146.11 133.19 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.57 105.12 15.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.589 ' HB2' HG13 ' A' ' 104' ' ' VAL . 49.2 m-85 -83.61 155.97 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.437 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 18.4 tt0 -103.89 138.51 19.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.646 0.736 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.7 Cg_endo -69.77 89.02 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.2 mtm -83.99 -41.98 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -127.81 177.07 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -88.43 -38.12 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.6 mm -88.51 -36.17 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.93 ' HA ' HD12 ' A' ' 80' ' ' ILE . 49.2 mt-10 -40.91 -29.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.547 ' HD2' ' CD2' ' A' ' 82' ' ' HIS . 2.8 tmm_? -59.9 -58.35 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 t -58.96 -42.45 89.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 77' ' ' GLU . 24.9 mt -54.78 -55.73 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.612 HD13 ' SD ' ' A' ' 52' ' ' MET . 55.4 tp -56.37 -47.88 77.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.547 ' CD2' ' HD2' ' A' ' 78' ' ' ARG . 4.0 m-70 -47.7 -47.43 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.4 t70 -60.75 -51.87 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.6 t -53.08 -35.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 90' ' ' LEU . 74.3 t -69.72 -67.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 4.4 pt-20 -40.66 -33.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 83' ' ' ASP . 88.7 t -77.03 -39.07 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -64.06 -33.69 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.29 32.32 2.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.929 HD11 ' CG1' ' A' ' 60' ' ' ILE . 60.0 mt -127.02 169.49 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.41 ' CG2' ' CE2' ' A' ' 93' ' ' PHE . 83.3 m -92.96 125.81 37.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 85.3 p -113.6 151.72 31.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 92' ' ' SER . 26.7 m-85 -165.8 163.83 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -124.6 130.81 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 103' ' ' TYR . 14.6 m-85 -139.9 126.55 20.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.82 149.13 20.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.95 -47.26 30.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.84 144.44 43.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -44.57 -40.61 5.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.37 -42.24 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 14.2 m -93.33 115.9 28.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -138.63 111.17 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.538 ' CD2' ' O ' ' A' ' 95' ' ' PHE . 4.8 p90 -100.31 165.62 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.589 HG13 ' HB2' ' A' ' 70' ' ' PHE . 1.8 p -114.5 135.64 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 40.0 mtp -123.43 161.98 23.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.556 HD11 ' HB3' ' A' ' 68' ' ' LYS . 15.4 pt -141.61 145.01 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.43 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 7.2 m-85 -130.73 166.15 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.642 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 49.9 mttt -86.54 173.83 9.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -64.4 -52.43 58.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -75.45 -38.09 59.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.463 ' CE2' HG22 ' A' ' 66' ' ' ILE . 69.0 m-85 -90.02 17.97 6.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.82 144.76 91.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.43 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.6 Cg_endo -69.78 159.86 51.82 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -95.68 164.36 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -55.34 -67.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -52.56 -45.37 66.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.489 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 34.2 mt-10 -59.99 -39.43 85.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.9 -48.29 81.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -58.05 -46.79 84.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.7 p -66.85 -40.24 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 13.6 m-85 -52.73 -49.31 65.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -64.77 -49.13 71.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -58.76 -28.88 66.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.2 -163.72 26.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.1 t -82.03 -53.41 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 110.884 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -162.36 85.72 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.8 Cg_endo -69.74 -2.66 10.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.386 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 127' ' ' PRO . 23.1 m -34.71 -47.81 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.9 m -55.53 -48.92 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -57.79 136.93 57.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 t -68.88 150.53 47.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.28 -94.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' SER . 14.5 t -125.78 126.25 44.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . 48.4 t -35.58 -43.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.76 164.12 1.84 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -96.32 147.16 24.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' VAL . 6.7 mptt -51.55 -44.39 62.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LYS . 84.6 t -34.29 -58.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -51.83 -57.46 9.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 79.7 t80 -49.96 -53.96 22.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -46.11 -54.78 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -49.36 -52.06 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -49.69 -57.15 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -49.5 -45.36 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -53.53 -44.77 69.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -66.61 -47.36 72.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.09 -61.89 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -44.82 -57.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.613 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.5 t -51.99 -56.19 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -47.37 -42.1 21.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.8 t80 -66.53 -37.17 84.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.636 ' CG1' HD11 ' A' ' 90' ' ' LEU . 83.3 mt -58.12 -52.43 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.88 -42.25 98.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.11 108.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -72.63 -45.89 56.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.76 -43.27 11.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -79.09 122.91 26.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.886 HG22 ' CE2' ' A' ' 111' ' ' PHE . 31.4 pt -99.81 -30.46 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.417 ' N ' HG13 ' A' ' 66' ' ' ILE . 16.1 ptpt -142.52 165.45 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.672 ' HB3' HD11 ' A' ' 106' ' ' ILE . 13.9 tttp -150.29 138.15 20.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 28.1 ttmt -121.91 123.69 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.459 ' CD1' HD21 ' A' ' 81' ' ' LEU . 91.5 m-85 -95.28 155.32 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.427 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 36.5 tt0 -93.28 138.02 23.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.77 88.68 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 19.5 mtm -82.95 -41.82 18.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.476 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 11.2 m120 -127.79 177.2 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -88.8 -30.23 19.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.2 mm -93.98 -32.83 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -44.68 -30.92 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.581 ' HD2' ' CD2' ' A' ' 82' ' ' HIS . 4.8 tmm_? -61.51 -48.47 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.1 t -65.36 -50.13 66.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 77' ' ' GLU . 27.4 mt -51.06 -51.16 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.085 HD23 HG11 ' A' ' 104' ' ' VAL . 32.5 tp -58.11 -42.77 86.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.581 ' CD2' ' HD2' ' A' ' 78' ' ' ARG . 11.7 m-70 -51.95 -51.36 57.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.1 t70 -59.59 -43.34 93.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.87 -35.33 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 81' ' ' LEU . 95.8 t -72.8 -58.73 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.03 -33.75 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 83' ' ' ASP . 91.9 t -76.54 -42.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.493 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -58.55 -33.11 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.27 34.24 2.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.636 HD11 ' CG1' ' A' ' 60' ' ' ILE . 79.9 mt -125.31 168.52 13.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.4 m -87.5 135.28 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.401 ' HB3' HG11 ' A' ' 85' ' ' VAL . 71.0 p -126.75 140.63 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 31.4 m-85 -152.68 125.66 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.411 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 65.9 p -82.08 120.45 25.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 41.0 m-85 -130.1 125.01 34.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.0 140.52 11.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 23.0 pm0 -79.54 -33.67 41.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.811 0.338 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.453 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 5.8 t70 -134.02 142.18 47.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.19 -39.17 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.75 -42.17 86.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 15.6 t -103.37 113.4 26.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -126.42 104.96 8.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 44.2 p90 -96.14 165.52 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 1.085 HG11 HD23 ' A' ' 81' ' ' LEU . 14.7 p -117.09 144.04 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.423 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 18.3 mtp -129.3 162.61 27.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.672 HD11 ' HB3' ' A' ' 68' ' ' LYS . 27.3 pt -144.91 144.15 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.441 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 12.9 m-85 -128.08 165.68 19.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.72 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 38.6 mttt -89.67 168.7 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -62.22 -51.59 67.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -74.54 -39.23 62.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.886 ' CE2' HG22 ' A' ' 66' ' ' ILE . 67.5 m-85 -91.79 18.05 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.72 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.85 144.67 90.92 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.56 0.695 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.441 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.8 Cg_endo -69.77 153.11 69.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.316 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.407 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 2.8 m -90.26 165.96 13.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -56.79 -67.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -51.6 -45.19 63.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.457 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 63.3 mm-40 -59.66 -42.66 93.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.31 -52.3 63.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -54.36 -50.02 68.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -66.65 -32.42 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.457 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 7.9 m-85 -59.09 -43.91 91.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -71.17 -45.06 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -28.84 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.43 56.49 4.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 126' ' ' GLY . 71.5 p -146.14 144.7 30.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 125' ' ' SER . . . 34.42 -111.85 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 144.02 52.62 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.329 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.8 m -106.54 172.14 6.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.7 p -143.7 151.51 40.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.5 m -132.04 164.37 26.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -122.68 156.99 33.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.24 45.58 3.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 t -151.57 148.2 27.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.3 p -67.43 121.8 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.3 -47.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -108.1 12.26 26.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.947 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.674 ' HE2' HD11 ' A' ' 80' ' ' ILE . 7.3 mtpm? -66.17 -45.87 79.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 94.2 t -34.9 -67.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -41.61 -59.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 77' ' ' GLU . 73.8 t80 -44.47 -49.54 9.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HD2' HG23 ' A' ' 80' ' ' ILE . 13.2 ttt-85 -54.95 -46.85 75.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -52.07 -55.79 18.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -51.2 -45.87 62.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.749 ' SD ' HD13 ' A' ' 81' ' ' LEU . 33.9 mmt -57.22 -41.88 80.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -58.41 -49.34 77.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -64.61 -46.57 82.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -59.79 -58.6 7.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 52' ' ' MET . 91.9 t -48.31 -62.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.465 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.7 t -44.6 -55.49 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -47.86 -43.03 28.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.46 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -64.92 -41.28 95.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.813 HG12 HD11 ' A' ' 90' ' ' LEU . 98.6 mt -54.18 -54.59 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -59.67 -41.83 91.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.44 113.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t -72.91 -58.79 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.97 -36.94 5.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -75.05 127.54 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.688 HG22 ' CE2' ' A' ' 111' ' ' PHE . 13.3 pt -113.13 -29.79 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 66' ' ' ILE . 35.4 pttt -147.76 160.71 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HB3' HD11 ' A' ' 106' ' ' ILE . 33.1 tttp -145.35 129.09 17.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -105.72 120.6 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.782 ' HB2' HG13 ' A' ' 104' ' ' VAL . 64.2 m-85 -94.62 169.14 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.402 ' O ' ' SD ' ' A' ' 73' ' ' MET . 15.2 mm-40 -112.03 138.55 21.76 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.5 Cg_endo -69.78 83.58 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.7 mpp? -77.04 -41.59 41.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -127.5 176.02 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -87.54 -34.11 18.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.0 mm -92.44 -35.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -40.9 -37.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -53.16 -55.71 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.7 t -60.78 -46.67 89.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.674 HD11 ' HE2' ' A' ' 45' ' ' LYS . 58.1 mt -52.39 -53.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.865 HD23 HG11 ' A' ' 104' ' ' VAL . 43.2 tp -56.58 -47.89 78.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -50.03 -43.69 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.88 -52.28 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.53 -37.1 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.452 HG13 ' HB2' ' A' ' 90' ' ' LEU . 73.6 t -66.47 -62.84 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -44.31 -35.51 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 75.7 t -72.06 -40.14 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -64.85 -34.16 77.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.15 34.98 2.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.813 HD11 HG12 ' A' ' 60' ' ' ILE . 85.4 mt -126.03 165.91 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.0 m -86.53 139.27 31.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 p -133.01 139.47 47.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 40.2 m-85 -156.28 127.54 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.5 p -85.72 109.27 18.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.794 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 63.5 m-85 -116.1 125.25 52.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.93 144.28 15.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.31 -43.38 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.34 166.67 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.46 -42.22 98.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -69.78 -42.2 74.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 22.6 m -89.12 113.97 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -138.18 104.73 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 3.8 p90 -95.89 165.67 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.865 HG11 HD23 ' A' ' 81' ' ' LEU . 7.7 p -113.15 131.49 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.408 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 38.9 mtp -121.58 163.46 18.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 68' ' ' LYS . 16.2 pt -143.76 144.62 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.535 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 8.9 m-85 -127.5 169.54 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.742 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 33.4 mttt -93.44 173.41 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.74 -48.13 75.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.57 -35.6 39.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.688 ' CE2' HG22 ' A' ' 66' ' ' ILE . 56.9 m-85 -94.45 18.0 12.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.89 144.66 90.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.1 Cg_endo -69.78 156.94 62.01 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 m -95.82 163.07 13.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -54.47 -67.29 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -50.96 -46.48 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 55.6 mt-10 -58.02 -42.92 86.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.9 mt -55.34 -54.09 48.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.27 -48.48 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.7 p -71.09 -24.88 62.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 4.6 m-85 -68.0 -33.74 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -83.62 -39.77 19.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -64.42 -26.64 68.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 125' ' ' SER . . . 63.3 -157.02 41.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.44 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 124' ' ' GLY . 6.4 t -35.65 -49.99 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 175.93 -117.8 0.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 167.84 23.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 t -55.9 151.2 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.9 p -149.48 151.92 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.505 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.4 m -86.56 -60.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.5 m -49.22 -56.73 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -132.93 133.53 7.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -109.95 153.7 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.9 t -68.31 -49.08 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.15 134.1 2.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -139.18 165.82 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.866 ' HD3' HD11 ' A' ' 80' ' ' ILE . 38.2 mttm -90.07 -45.19 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' LYS . 92.6 t -36.08 -51.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -51.14 -54.41 25.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 65.8 t80 -56.06 -50.59 70.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -46.29 -50.24 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -56.78 -55.12 38.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 ttt85 -49.91 -46.47 51.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 29.2 mmt -59.0 -43.97 91.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.0 -46.19 71.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -67.59 -47.21 70.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -58.07 -59.42 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.6 t -48.87 -59.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 t -48.79 -59.63 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -42.62 -43.78 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 2.5 t80 -64.73 -48.47 74.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.741 HG12 HD11 ' A' ' 90' ' ' LEU . 81.7 mt -48.8 -53.77 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.77 -38.93 86.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.96 117.05 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -83.57 -48.07 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.06 -39.73 9.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -88.02 121.62 30.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.507 HG21 ' CE2' ' A' ' 111' ' ' PHE . 25.3 pt -94.13 -31.87 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.468 ' N ' HG13 ' A' ' 66' ' ' ILE . 13.3 ptpt -139.59 168.48 19.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.696 ' HB3' HD11 ' A' ' 106' ' ' ILE . 38.6 tttp -148.76 122.72 9.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -95.31 116.42 28.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.823 ' HB2' HG13 ' A' ' 104' ' ' VAL . 63.1 m-85 -85.8 168.9 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -117.8 138.54 25.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HB3' ' NH2' ' A' ' 78' ' ' ARG . 53.2 Cg_endo -69.78 80.7 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -76.68 -42.26 42.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.483 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 2.4 m120 -128.04 177.18 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -87.51 -36.04 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLU . 20.7 mm -89.1 -36.55 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.575 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 22.3 mt-10 -38.12 -35.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -53.92 -55.46 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.8 t -63.63 -48.4 77.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.866 HD11 ' HD3' ' A' ' 45' ' ' LYS . 48.1 mt -51.01 -56.58 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.863 HD23 HG11 ' A' ' 104' ' ' VAL . 31.2 tp -54.36 -43.02 70.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -52.56 -44.61 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.712 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.6 t70 -62.62 -48.81 77.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.6 t -59.5 -40.3 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.579 HG11 ' HB2' ' A' ' 92' ' ' SER . 73.4 t -67.99 -61.03 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 6.4 pt-20 -46.85 -33.15 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 83' ' ' ASP . 94.6 t -76.91 -39.86 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.623 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -59.27 -34.33 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.48 34.19 2.14 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.741 HD11 HG12 ' A' ' 60' ' ' ILE . 84.1 mt -127.24 171.05 11.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.4 m -100.3 121.18 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.579 ' HB2' HG11 ' A' ' 85' ' ' VAL . 3.0 t -115.85 153.76 30.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 37.2 m-85 -157.34 134.72 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.9 m -93.07 106.09 18.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.586 ' O ' ' CD2' ' A' ' 103' ' ' TYR . 48.7 m-85 -111.54 124.96 53.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.47 132.46 5.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -73.6 -36.64 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.14 155.29 34.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -53.41 -41.63 66.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.53 -41.97 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 22.8 m -88.02 108.63 19.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.46 ' O ' ' NE ' ' A' ' 78' ' ' ARG . 30.1 mtm180 -136.96 104.59 5.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 95' ' ' PHE . 46.7 p90 -98.26 165.71 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.863 HG11 HD23 ' A' ' 81' ' ' LEU . 7.4 p -118.93 143.57 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 42.5 mtp -126.93 159.86 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 68' ' ' LYS . 10.7 pt -137.89 147.64 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.539 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 10.6 m-85 -132.23 166.61 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.812 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 29.0 mttt -88.96 172.91 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -63.82 -52.08 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -74.68 -40.86 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.507 ' CE2' HG21 ' A' ' 66' ' ' ILE . 81.2 m-85 -90.19 17.97 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.812 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -71.08 144.83 90.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.703 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.539 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.2 Cg_endo -69.78 159.17 54.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.492 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 2.2 m -99.58 164.16 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -54.7 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -52.32 -46.39 66.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.492 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 6.3 mm-40 -57.54 -42.55 83.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.17 -51.32 68.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -55.84 -41.06 73.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 m -71.28 -40.02 71.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 23.4 m-85 -54.61 -42.99 71.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -74.86 -48.79 23.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -59.01 -29.0 66.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.34 -112.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.9 t 59.29 41.35 20.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.947 0.403 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 121.0 146.18 7.44 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.04 31.2 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.318 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.5 t -42.72 -60.05 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.6 m -81.46 177.31 9.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -46.42 -56.35 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.3 p -127.05 158.28 37.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.788 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.26 123.06 7.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -106.69 159.16 16.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.8 p -72.46 137.4 46.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.31 79.62 0.16 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -78.24 165.06 24.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HG2' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -89.66 -40.55 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LYS . 87.6 t -34.05 -63.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.9 -56.09 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 77' ' ' GLU . 85.4 t80 -45.93 -62.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -43.06 -46.86 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -51.88 -58.64 5.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -47.24 -51.99 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.549 ' HG3' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -51.22 -46.89 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -53.74 -47.01 71.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -48.49 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -58.12 -62.44 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.9 t -46.49 -57.37 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.8 t -45.15 -58.88 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -47.82 -44.62 28.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -63.56 -40.91 98.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.96 ' CG1' HD11 ' A' ' 90' ' ' LEU . 63.1 mt -54.01 -54.66 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -58.17 -44.59 88.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -59.23 104.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -73.63 -44.82 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.19 -39.63 5.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -87.56 131.75 34.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' HB ' ' CB ' ' A' ' 111' ' ' PHE . 7.3 pt -111.74 -24.79 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 66' ' ' ILE . 20.9 pttt -143.61 155.6 44.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -147.0 135.72 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 5.3 ttpt -106.82 131.12 54.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.634 ' HB2' HG13 ' A' ' 104' ' ' VAL . 59.9 m-85 -103.62 168.52 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -109.53 138.37 20.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.84 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.3 mtm -95.48 -42.77 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.482 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 7.4 m-20 -128.36 177.31 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -90.13 -34.23 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.8 mm -90.43 -34.94 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 48' ' ' PHE . 22.3 mt-10 -39.8 -31.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.407 ' NH2' ' HB3' ' A' ' 102' ' ' ARG . 4.7 tpp85 -58.94 -53.94 52.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.2 t -62.68 -46.52 87.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 77' ' ' GLU . 36.1 mt -54.22 -57.77 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.834 HD23 HG11 ' A' ' 104' ' ' VAL . 21.2 tp -51.81 -50.57 60.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -44.7 -55.8 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -51.91 -52.32 50.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.78 -41.17 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.422 HG13 ' HB2' ' A' ' 90' ' ' LEU . 67.5 t -60.72 -61.1 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.68 -54.87 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -56.72 -40.5 70.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.764 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -62.62 -30.52 71.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.98 30.69 5.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.96 HD11 ' CG1' ' A' ' 60' ' ' ILE . 81.2 mt -127.07 167.67 15.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.2 m -89.1 144.64 25.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.1 p -132.51 133.41 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 32.2 m-85 -150.86 131.15 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.4 m -96.84 118.95 34.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CD1' ' HB3' ' A' ' 122' ' ' ARG . 49.2 m-85 -127.84 125.13 39.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.47 138.6 9.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.13 -44.68 62.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -115.21 140.52 49.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -46.8 -46.52 20.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.12 -42.21 99.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.62 105.19 17.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.407 ' HB3' ' NH2' ' A' ' 78' ' ' ARG . 1.8 tpp85 -130.26 104.83 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 4.2 p90 -94.86 165.72 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.834 HG11 HD23 ' A' ' 81' ' ' LEU . 7.5 p -113.15 134.79 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.484 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 30.4 mtp -117.13 158.96 23.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.8 pt -140.35 147.1 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 14.7 m-85 -134.19 168.24 19.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.765 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 33.4 mttt -89.75 174.04 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -67.06 -53.72 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.39 -36.03 63.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.455 ' CB ' ' HB ' ' A' ' 66' ' ' ILE . 50.5 m-85 -94.12 18.0 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.6 143.64 90.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.3 Cg_endo -69.68 160.08 51.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -97.7 171.83 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.89 -67.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -54.23 -44.33 71.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.585 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 6.3 mm-40 -59.52 -42.17 91.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.3 mt -56.39 -53.92 51.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -54.54 -42.23 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.5 m -75.72 -17.29 59.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 7.9 m-85 -82.15 -28.15 32.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.593 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 4.6 ptp180 -88.54 -33.63 17.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 9.6 ptt180 -58.58 -29.16 66.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.64 159.98 4.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.4 p -53.83 120.58 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.82 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.62 -151.62 5.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 103.13 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.7 m -89.93 116.09 27.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 32.9 p -57.22 -54.0 51.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.458 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.4 p -41.97 -47.12 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -89.37 129.53 35.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.46 -166.91 29.24 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -79.48 158.15 27.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t 67.46 42.05 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.73 48.26 0.92 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -138.26 174.17 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' VAL . 8.8 mptt -83.68 -39.31 20.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' GLU . 55.6 t -34.29 -64.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' VAL . 6.3 mm-40 -34.64 -55.81 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 63.6 t80 -64.27 -48.5 75.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -48.09 -68.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -51.17 -38.66 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -59.76 -46.68 88.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.785 ' SD ' HD13 ' A' ' 81' ' ' LEU . 29.0 mmt -63.34 -41.34 98.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -55.27 -46.84 76.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -62.42 -48.28 80.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.97 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.6 t -39.88 -56.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.571 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.0 t -48.19 -57.56 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -46.91 -43.42 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.14 -40.17 95.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.772 ' CG1' HD11 ' A' ' 90' ' ' LEU . 85.9 mt -55.64 -51.94 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -60.2 -42.89 96.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.98 121.37 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.8 t -82.84 -55.73 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.73 -40.03 2.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -77.54 119.27 20.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.944 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.951 HG22 ' CE2' ' A' ' 111' ' ' PHE . 23.6 pt -98.44 -22.59 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -147.64 170.6 17.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.547 ' HB3' HD11 ' A' ' 106' ' ' ILE . 10.5 tptt -143.12 124.71 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -97.58 103.12 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.822 ' HB2' HG13 ' A' ' 104' ' ' VAL . 31.5 m-85 -82.71 145.78 29.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -92.28 138.54 24.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 102' ' ' ARG . 53.2 Cg_endo -69.84 89.92 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.634 2.223 . . . . 0.0 112.328 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -86.75 -41.93 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.4 ' O ' ' OE1' ' A' ' 77' ' ' GLU . 4.8 m120 -127.73 177.12 7.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -90.84 -28.86 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 76' ' ' ILE . 42.1 mm -93.06 -14.97 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -43.71 -25.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.553 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 8.6 tpp85 -64.72 -67.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.5 t -50.43 -47.14 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.8 mt -62.21 -68.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.857 HD23 HG11 ' A' ' 104' ' ' VAL . 49.8 tp -46.17 -54.32 8.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.531 ' CD2' ' HG3' ' A' ' 78' ' ' ARG . 8.0 m-70 -45.16 -51.12 10.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 87' ' ' VAL . 5.8 t0 -53.56 -49.85 66.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.06 -31.57 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.587 HG11 ' HB3' ' A' ' 92' ' ' SER . 98.9 t -69.76 -53.33 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 87' ' ' VAL . 3.6 pt-20 -57.7 -35.05 70.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 83' ' ' ASP . 91.0 t -69.82 -39.61 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.74 -32.16 72.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.33 36.09 2.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.772 HD11 ' CG1' ' A' ' 60' ' ' ILE . 81.6 mt -126.96 169.1 13.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.6 m -93.73 136.46 33.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.587 ' HB3' HG11 ' A' ' 85' ' ' VAL . 78.5 p -125.87 143.53 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.569 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 12.1 m-85 -151.84 149.14 28.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.4 p -106.53 111.2 23.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 92.7 m-85 -117.46 125.7 51.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.51 134.83 7.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -73.53 -38.94 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -132.59 161.78 32.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -52.68 -46.99 67.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.8 -42.15 64.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 7.3 t -86.47 103.65 15.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 72' ' ' PRO . 53.0 mtm180 -139.33 125.99 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -127.05 165.57 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.857 HG11 HD23 ' A' ' 81' ' ' LEU . 14.4 p -106.07 146.05 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.0 mtp -138.21 155.23 48.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.547 HD11 ' HB3' ' A' ' 68' ' ' LYS . 7.1 pt -137.27 144.79 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.531 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 27.7 m-85 -125.79 171.61 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.776 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 30.1 mttt -93.37 171.8 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.82 -50.56 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.65 -38.6 47.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.951 ' CE2' HG22 ' A' ' 66' ' ' ILE . 41.4 m-85 -91.06 17.95 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.89 144.58 90.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.531 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.1 Cg_endo -69.76 151.77 69.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.6 m -93.79 165.59 12.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.45 -66.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -54.22 -44.58 71.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 15.5 mm-40 -59.32 -36.14 75.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.87 -50.27 69.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.43 -42.7 74.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.1 p -73.45 -40.6 64.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 10.6 m-85 -51.84 -41.29 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -79.3 -40.66 29.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -26.69 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.21 -151.99 18.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.3 t -118.99 149.95 40.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.03 84.67 1.66 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 160.65 48.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.8 m -97.95 169.76 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.5 t -136.36 135.51 38.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.8 p 52.29 41.26 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.2 m 61.16 43.04 11.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.71 -115.59 3.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -112.17 122.6 48.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' GLY . 35.8 p -112.19 173.43 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' SER . . . -36.42 118.67 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.448 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' LYS . 12.5 mt-30 -138.56 135.05 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 46' ' ' VAL . 36.4 mttp -35.31 -41.92 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' LYS . 92.1 t -33.76 -60.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.47 -59.78 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 58.8 t80 -51.07 -57.49 8.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -41.87 -60.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -45.34 -56.21 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.428 ' HG2' ' HE3' ' A' ' 52' ' ' MET . 63.6 ttt-85 -48.02 -58.46 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.532 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -48.05 -45.44 32.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.557 ' HG2' HG13 ' A' ' 84' ' ' VAL . 43.0 mt-10 -53.88 -43.94 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -68.53 -48.8 63.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.39 -57.08 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.688 HG13 HD12 ' A' ' 90' ' ' LEU . 70.7 t -49.74 -57.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.624 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.5 t -47.65 -58.98 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -45.58 -42.53 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 108' ' ' LYS . 2.5 t80 -65.06 -39.94 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.948 ' CG1' HD11 ' A' ' 90' ' ' LEU . 91.2 mt -56.1 -48.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -65.02 -39.4 93.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.41 105.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 m -71.61 -54.06 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -42.65 -39.31 3.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -83.77 127.23 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.815 HG22 ' CE2' ' A' ' 111' ' ' PHE . 8.2 pt -108.95 -24.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 66' ' ' ILE . 16.8 pttp -142.08 158.26 43.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HB3' HD11 ' A' ' 106' ' ' ILE . 19.1 ttmm -143.79 137.52 28.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -101.01 128.92 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.75 ' HB2' HG13 ' A' ' 104' ' ' VAL . 22.2 m-85 -109.88 115.98 30.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' O ' ' SD ' ' A' ' 73' ' ' MET . 14.6 tm0? -63.18 138.21 97.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HD2' ' CD ' ' A' ' 71' ' ' GLN . 53.5 Cg_endo -69.79 83.65 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.5 mpp? -75.86 -42.39 49.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 3.1 m120 -128.23 177.88 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -93.22 -22.53 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 78' ' ' ARG . 34.3 mm -96.27 -30.31 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.0 pt-20 -37.82 -27.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -60.8 -53.07 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 m -69.38 -44.19 72.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mt -59.89 -61.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.719 HD23 HG11 ' A' ' 104' ' ' VAL . 16.2 tp -51.92 -43.98 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 5.3 m-70 -52.25 -48.94 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.748 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.8 t70 -58.28 -45.42 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.557 HG13 ' HG2' ' A' ' 53' ' ' GLU . 92.9 t -58.74 -40.71 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.729 HG13 ' HB2' ' A' ' 90' ' ' LEU . 90.1 t -67.97 -63.29 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 6.5 pt-20 -43.29 -36.05 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 83' ' ' ASP . 98.2 t -72.09 -41.46 67.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.6 -30.73 71.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.148 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.92 37.46 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.948 HD11 ' CG1' ' A' ' 60' ' ' ILE . 84.6 mt -126.91 166.78 16.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.2 m -96.12 147.72 23.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.8 ' OG ' HG22 ' A' ' 106' ' ' ILE . 18.2 m -148.63 151.47 35.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 45.0 m-85 -154.19 167.43 29.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 p -106.61 113.69 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 28.6 m-85 -134.9 124.87 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.11 153.84 22.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -82.22 -43.41 17.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.58 139.17 51.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -44.3 -43.1 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.58 -42.27 82.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 59.6 m -99.12 110.04 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -126.61 108.74 11.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.413 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 8.5 p90 -96.2 165.62 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.75 HG13 ' HB2' ' A' ' 70' ' ' PHE . 8.7 p -116.94 134.98 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.0 mmm -117.44 162.7 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.8 HG22 ' OG ' ' A' ' 92' ' ' SER . 12.9 pt -138.06 143.07 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.483 ' CD2' ' HD3' ' A' ' 113' ' ' PRO . 4.4 m-85 -126.23 163.72 22.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.64 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 35.2 mttt -88.56 173.03 8.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -63.79 -52.56 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -75.64 -39.84 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.815 ' CE2' HG22 ' A' ' 66' ' ' ILE . 28.6 m-85 -87.59 17.92 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.71 144.46 91.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.554 0.692 . . . . 0.0 111.155 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.483 ' HD3' ' CD2' ' A' ' 107' ' ' PHE . 54.3 Cg_endo -69.75 160.01 51.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.434 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 2.4 m -94.7 161.05 14.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -54.16 -67.37 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -52.75 -46.44 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 77.8 mt-10 -57.05 -42.38 80.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 113' ' ' PRO . 30.6 mt -56.83 -51.39 69.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -54.79 -42.78 72.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -69.54 -42.45 74.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 20.2 m-85 -51.2 -47.08 62.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -68.95 -43.83 74.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -60.46 -28.73 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 120.35 -124.09 5.8 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.0 t -106.83 164.35 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.32 -157.14 2.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.82 5.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 m -92.13 147.55 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.1 m -42.43 -48.87 5.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -74.56 -62.0 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.818 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -64.6 151.6 44.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.9 107.11 3.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 p -146.99 147.65 30.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 p -105.7 156.81 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.38 71.59 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -114.58 126.76 55.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HG2' HD11 ' A' ' 80' ' ' ILE . 62.4 mttt -38.3 -46.49 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.1 t -34.34 -52.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -54.16 -56.45 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 62.6 t80 -55.58 -50.57 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -47.98 -57.09 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -50.68 -54.82 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.8 ttt85 -48.17 -47.73 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.529 ' O ' HG23 ' A' ' 56' ' ' VAL . 30.9 mmt -59.53 -43.34 93.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -53.82 -47.77 70.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -61.74 -48.68 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -60.13 -60.9 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 52' ' ' MET . 90.7 t -41.82 -58.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -47.75 -61.05 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -44.04 -41.58 5.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 1.7 t80 -68.1 -43.45 78.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.736 HD11 ' HB1' ' A' ' 88' ' ' ALA . 71.8 mt -53.5 -53.36 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.86 -42.53 98.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.81 105.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -73.73 -44.58 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.74 -40.71 33.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.23 117.96 23.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 110.942 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.661 HG21 ' CE2' ' A' ' 111' ' ' PHE . 27.7 pt -96.58 -31.04 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.447 ' N ' HG13 ' A' ' 66' ' ' ILE . 39.4 pttt -136.3 153.38 51.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HB3' ' CG1' ' A' ' 106' ' ' ILE . 30.6 tttt -131.42 140.02 49.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -113.17 110.76 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.578 ' HB2' HG13 ' A' ' 104' ' ' VAL . 67.4 m-85 -82.48 168.99 16.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' SD ' ' A' ' 73' ' ' MET . 38.2 mt-30 -110.55 138.8 21.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.432 ' HA ' ' OE2' ' A' ' 77' ' ' GLU . 53.3 Cg_endo -69.76 92.28 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 2.2 mpp? -95.7 -43.98 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.405 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 85.0 m-20 -129.23 177.66 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -91.89 -34.09 14.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' GLU . 21.4 mm -84.72 -23.14 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 17.7 pt-20 -37.55 -34.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.479 ' HG3' ' CD2' ' A' ' 82' ' ' HIS . 2.9 tpp180 -57.12 -66.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.8 m -51.38 -51.15 57.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.489 HD11 ' HG2' ' A' ' 45' ' ' LYS . 57.5 mt -57.55 -67.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.76 HD23 HG11 ' A' ' 104' ' ' VAL . 17.7 tp -46.31 -52.29 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.479 ' CD2' ' HG3' ' A' ' 78' ' ' ARG . 5.5 m-70 -48.3 -43.89 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 87' ' ' VAL . 46.8 t0 -59.08 -48.64 80.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.35 -34.07 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.423 HG13 ' HB2' ' A' ' 90' ' ' LEU . 94.5 t -69.62 -59.45 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 1.2 pp20? -48.73 -36.26 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 83' ' ' ASP . 78.6 t -70.42 -41.88 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.736 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.11 -34.52 78.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.77 37.76 2.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.703 HD11 ' CG1' ' A' ' 60' ' ' ILE . 87.7 mt -127.15 163.08 24.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.0 m -83.81 146.21 28.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 p -135.84 148.15 48.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -161.33 167.11 26.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.431 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 96.1 p -119.63 128.85 54.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -142.98 124.09 14.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.89 138.61 9.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -76.86 -44.94 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -117.66 139.62 50.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -42.36 -48.62 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -42.27 92.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 42.5 t -91.46 106.96 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -133.15 108.74 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.424 ' C ' ' CD1' ' A' ' 103' ' ' TYR . 4.0 p90 -107.57 155.19 20.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.76 HG11 HD23 ' A' ' 81' ' ' LEU . 11.4 p -102.46 134.45 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 68.1 mtp -119.39 164.0 16.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.475 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 7.2 pt -140.48 147.7 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -128.55 164.44 22.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -87.57 168.89 12.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -58.64 -58.91 6.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.56 -40.72 80.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.661 ' CE2' HG21 ' A' ' 66' ' ' ILE . 38.9 m-85 -84.95 18.0 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.92 140.14 88.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.05 54.81 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.286 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.481 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 3.2 m -94.99 164.47 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.71 -67.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -52.02 -46.92 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 64.3 mm-40 -56.79 -45.52 82.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.55 -49.18 68.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -55.48 -47.12 76.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.6 p -66.36 -42.11 88.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -50.07 -51.61 41.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.66 -42.16 87.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -58.92 -29.12 66.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 131.74 98.24 0.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.3 t -98.3 164.25 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -124.0 160.2 18.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.07 2.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.5 t 66.5 45.55 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.0 m -126.64 167.32 15.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.7 p -72.52 158.39 35.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.924 0.393 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.0 p -72.61 -41.48 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.75 173.55 30.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.8 p -91.73 145.75 24.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.839 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.9 p -80.47 -33.5 36.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.03 -42.9 1.34 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -61.52 147.41 45.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 46' ' ' VAL . 31.3 mmmt -66.51 -25.56 66.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 45' ' ' LYS . 96.7 t -33.46 -51.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -53.85 -57.32 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 76.7 t80 -49.8 -57.68 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -42.08 -51.36 4.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -53.57 -50.44 65.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -50.6 -52.41 39.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.535 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -53.95 -47.19 71.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -50.59 -47.19 58.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -64.9 -46.59 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.57 -65.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.2 t -42.99 -58.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.473 ' HA ' HD12 ' A' ' 60' ' ' ILE . 6.9 t -47.43 -54.81 10.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.26 -46.77 55.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -61.85 -38.64 88.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.908 ' CG1' HD11 ' A' ' 90' ' ' LEU . 94.0 mt -56.61 -57.38 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -56.82 -39.01 73.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.73 112.92 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' GLY . 52.0 m -70.59 -65.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' SER . . . -38.43 -38.39 0.63 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -74.27 116.84 15.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.843 HG22 ' CE2' ' A' ' 111' ' ' PHE . 22.5 pt -103.32 -27.88 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 66' ' ' ILE . 34.7 pttt -145.65 161.68 39.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HB3' HD11 ' A' ' 106' ' ' ILE . 20.2 tttm -145.57 132.69 20.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.476 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 28.3 tttt -102.99 143.9 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.574 ' HB2' HG13 ' A' ' 104' ' ' VAL . 63.8 m-85 -119.83 168.04 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -113.88 138.28 22.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.6 Cg_endo -69.77 92.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 11.4 mtm -91.1 -42.95 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -128.66 175.6 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -27.78 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' GLU . 19.5 mm -89.79 -30.05 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.5 pp20? -38.09 -32.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.434 ' NH2' ' HB2' ' A' ' 94' ' ' SER . 0.3 OUTLIER -58.21 -67.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.5 t -49.0 -46.98 44.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.6 mt -58.27 -68.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.73 HD23 HG11 ' A' ' 104' ' ' VAL . 38.9 tp -47.38 -45.8 25.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -55.57 -43.3 75.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.509 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.0 t0 -62.51 -48.18 80.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.66 -34.14 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 81' ' ' LEU . 98.9 t -71.41 -61.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 1.0 OUTLIER -46.34 -35.45 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 83' ' ' ASP . 76.7 t -73.98 -41.1 52.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.767 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -63.31 -33.35 75.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.58 37.39 2.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.908 HD11 ' CG1' ' A' ' 60' ' ' ILE . 82.9 mt -125.31 165.61 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.7 m -83.02 136.41 34.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.421 ' HB3' HG11 ' A' ' 85' ' ' VAL . 22.0 p -129.57 137.77 50.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.589 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 23.3 m-85 -144.92 156.49 44.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.434 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -112.67 107.28 15.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 54.8 m-85 -124.27 124.05 41.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.489 ' HA3' ' CB ' ' A' ' 102' ' ' ARG . . . -138.19 156.78 24.11 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -89.68 -29.59 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -125.49 133.21 52.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.58 -40.88 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -77.49 -42.33 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 56.9 m -110.12 111.75 23.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.489 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 7.7 ptm180 -138.48 133.95 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 103' ' ' TYR . 3.5 p90 -93.38 165.69 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.73 HG11 HD23 ' A' ' 81' ' ' LEU . 13.8 p -115.18 136.27 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.476 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 20.9 mtp -123.68 163.47 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.439 HD11 ' HB3' ' A' ' 68' ' ' LYS . 11.4 pt -142.08 146.02 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.534 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 13.4 m-85 -129.51 165.06 22.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.786 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 43.2 mttt -87.48 168.51 13.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -63.48 -48.21 78.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.39 -40.45 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.843 ' CE2' HG22 ' A' ' 66' ' ' ILE . 54.3 m-85 -90.39 17.98 6.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.61 144.57 91.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.549 0.69 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.534 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.0 Cg_endo -69.71 150.35 68.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 m -89.8 166.02 13.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -55.2 -67.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -52.44 -45.21 65.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 5.3 mm-40 -59.79 -39.95 86.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.29 -49.25 77.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -57.55 -45.29 85.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.5 p -69.42 -36.42 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 12.4 m-85 -56.41 -48.02 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -68.31 -43.54 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -59.24 -28.03 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -39.38 -42.44 1.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.5 t -111.65 135.23 52.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 110.816 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 101.37 129.14 6.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 107.35 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.392 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.8 m -78.86 160.72 27.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 90.1 p -134.82 164.83 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.2 t -105.88 145.72 30.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -70.14 156.18 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.38 88.28 1.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -59.59 149.05 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.0 p -89.7 122.69 33.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.51 71.58 0.79 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -62.16 162.2 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -80.18 -45.6 17.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.1 t -38.44 -51.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -53.42 -54.93 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 90.8 t80 -54.59 -49.14 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -47.33 -55.4 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -52.63 -50.14 63.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -50.07 -49.12 52.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.518 ' O ' HG23 ' A' ' 56' ' ' VAL . 31.9 mmt -57.77 -41.84 82.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.48 -46.33 76.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -65.56 -49.96 66.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -58.95 -63.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 52' ' ' MET . 85.3 t -44.17 -61.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.627 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.3 t -45.86 -60.53 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -41.01 -45.62 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.38 -42.46 98.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.635 ' CG1' HD11 ' A' ' 90' ' ' LEU . 95.3 mt -53.02 -55.09 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -57.84 -43.75 86.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -58.37 111.54 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -76.49 -56.35 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.29 -41.31 2.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -78.46 125.82 29.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.722 HG22 ' CE2' ' A' ' 111' ' ' PHE . 11.2 pt -107.53 -30.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' N ' HG13 ' A' ' 66' ' ' ILE . 50.0 pttt -138.86 153.21 48.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.951 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -143.32 136.91 28.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -107.16 147.25 30.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.523 ' HB2' HG13 ' A' ' 104' ' ' VAL . 56.6 m-85 -119.14 169.25 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 73' ' ' MET . 21.3 mt-30 -113.56 138.94 22.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.574 0.702 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 79.93 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.7 mpp? -74.88 -42.48 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' C ' ' HE3' ' A' ' 75' ' ' LYS . 2.7 m-80 -128.36 177.85 6.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' HE3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -93.22 -23.31 18.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' ARG . 47.6 mm -96.03 -29.79 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.0 pt-20 -38.52 -29.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 76' ' ' ILE . 14.0 mmm-85 -58.69 -55.78 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.3 t -65.29 -41.57 94.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 77' ' ' GLU . 21.0 mt -61.37 -63.04 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.791 HD23 HG11 ' A' ' 104' ' ' VAL . 23.4 tp -52.91 -41.27 64.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 11.6 m-70 -55.19 -45.7 75.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.7 t0 -62.03 -43.87 97.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.93 -38.85 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 90' ' ' LEU . 91.5 t -69.31 -59.98 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.9 pt-20 -46.91 -36.4 7.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 83' ' ' ASP . 95.6 t -72.6 -42.26 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.83 -31.58 72.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.81 39.18 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.705 ' HB2' HG13 ' A' ' 85' ' ' VAL . 99.1 mt -126.97 161.57 28.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.902 0.382 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.6 m -92.23 139.89 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -132.33 159.56 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.492 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 23.5 m-85 -159.55 169.43 23.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.3 t -123.0 126.41 47.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.602 ' O ' ' CE2' ' A' ' 103' ' ' TYR . 49.0 m-85 -146.68 123.92 11.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.28 153.13 22.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.58 -40.02 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -124.3 150.65 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -48.77 -41.43 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.17 -41.85 76.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 59.4 m -94.16 111.78 23.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -134.45 111.04 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 95' ' ' PHE . 5.0 p90 -97.27 162.13 13.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.791 HG11 HD23 ' A' ' 81' ' ' LEU . 11.0 p -112.92 138.85 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.077 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 54.9 mtp -125.53 161.03 28.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 pt -140.89 144.18 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.534 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 46.9 m-85 -132.78 162.27 31.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.763 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 37.3 mttt -81.2 174.07 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -67.46 -53.23 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.59 -38.92 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.722 ' CE2' HG22 ' A' ' 66' ' ' ILE . 49.4 m-85 -90.69 17.97 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.42 144.79 92.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.709 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.534 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.6 Cg_endo -69.82 158.29 57.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 m -101.67 170.85 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.41 -67.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.29 -48.94 70.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.595 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 44.8 mt-10 -55.19 -41.24 71.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.08 -55.18 38.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -53.66 -36.89 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.2 m -76.83 -33.96 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.595 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 15.0 m-85 -65.19 -44.63 87.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.593 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -74.06 -35.97 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -69.01 -28.5 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 112.87 134.83 6.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.451 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.8 t -77.57 -53.31 7.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.91 -170.32 0.45 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.24 20.72 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.339 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 93.7 p -85.02 137.89 32.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.5 t -89.81 -52.49 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.528 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.8 p -153.5 152.84 31.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.4 p -85.55 157.22 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.92 -60.89 0.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.0 t -70.6 160.86 31.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.1 m -84.52 175.33 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.93 64.45 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -145.34 161.48 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.0 ' HD2' HD11 ' A' ' 80' ' ' ILE . 22.1 mmtt -61.12 -45.36 95.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . 90.3 t -34.67 -65.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' VAL . 18.2 mt-10 -36.85 -60.9 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.622 ' CE1' ' CD ' ' A' ' 77' ' ' GLU . 86.2 t80 -51.93 -51.45 56.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -44.54 -52.09 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -56.12 -54.64 42.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -47.32 -46.67 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.642 ' O ' HG23 ' A' ' 56' ' ' VAL . 28.4 mmt -61.1 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -51.83 -47.23 64.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -58.02 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.02 -47.78 44.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 52' ' ' MET . 77.9 t -54.37 -63.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.97 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.6 t -46.77 -55.06 8.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -46.19 -45.62 16.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -62.86 -41.85 99.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.97 HD12 ' HA ' ' A' ' 57' ' ' SER . 43.2 mt -54.28 -54.26 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -59.68 -40.75 88.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.29 113.21 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.0 p -81.96 -47.17 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.36 -40.34 2.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.72 123.2 34.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.588 HG21 ' CE2' ' A' ' 111' ' ' PHE . 14.9 pt -96.75 -23.2 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -143.91 160.36 40.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.477 ' HB3' HD11 ' A' ' 106' ' ' ILE . 19.7 ttmm -139.76 122.7 16.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -98.98 113.54 25.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.866 ' HB2' HG13 ' A' ' 104' ' ' VAL . 49.0 m-85 -85.37 168.49 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -116.33 138.66 24.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.9 Cg_endo -69.78 81.43 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -78.18 -42.13 32.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.527 ' ND2' ' NZ ' ' A' ' 45' ' ' LYS . 12.7 t-20 -128.04 175.37 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -86.9 -36.03 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.5 ' N ' ' HG2' ' A' ' 75' ' ' LYS . 10.3 mm -88.9 -29.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.693 ' HA ' HD12 ' A' ' 80' ' ' ILE . 24.9 mt-10 -43.75 -28.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -60.61 -57.48 12.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 t -60.0 -45.42 92.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.0 HD11 ' HD2' ' A' ' 45' ' ' LYS . 17.7 mt -55.37 -62.54 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.772 HD23 HG11 ' A' ' 104' ' ' VAL . 25.2 tp -51.59 -44.49 62.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 30.9 m-70 -50.12 -53.96 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 87' ' ' VAL . 42.2 t0 -55.47 -45.05 76.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.2 t -58.97 -33.81 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.594 HG11 ' HB3' ' A' ' 92' ' ' SER . 83.2 t -71.32 -57.58 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 6.5 pt-20 -51.27 -30.88 19.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 83' ' ' ASP . 85.3 t -79.7 -39.41 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.419 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -62.01 -32.8 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.1 33.37 3.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.55 HD11 ' CG1' ' A' ' 60' ' ' ILE . 82.2 mt -124.35 169.77 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.477 HG21 ' HD2' ' A' ' 113' ' ' PRO . 74.7 m -89.08 130.77 35.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.594 ' HB3' HG11 ' A' ' 85' ' ' VAL . 45.2 p -117.35 141.17 48.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.596 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 24.7 m-85 -155.07 125.21 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.4 ' OG ' ' NE2' ' A' ' 82' ' ' HIS . 63.2 m -91.31 114.9 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.54 ' O ' ' CZ ' ' A' ' 103' ' ' TYR . 44.9 m-85 -119.28 125.13 48.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.09 130.15 4.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.3 -29.21 61.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.26 177.98 6.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.06 -46.5 9.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -61.34 -41.98 97.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 77.3 m -106.35 115.86 30.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -130.66 105.18 7.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 36.4 p90 -90.07 165.38 14.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.866 HG13 ' HB2' ' A' ' 70' ' ' PHE . 7.4 p -118.81 136.47 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 53.0 mtp -123.86 158.91 30.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 68' ' ' LYS . 8.7 pt -141.24 147.86 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.516 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 10.8 m-85 -129.66 162.35 28.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.669 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 44.8 mttt -81.55 170.94 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -60.48 -53.57 55.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.48 -40.11 62.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' A' ' 66' ' ' ILE . 62.0 m-85 -88.26 17.75 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.97 144.74 90.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.516 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.9 Cg_endo -69.7 155.44 66.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.385 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 1.9 m -100.53 165.94 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -53.42 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.27 -43.48 67.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.599 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 16.5 mm-40 -61.25 -36.66 80.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.596 HD11 ' CZ ' ' A' ' 93' ' ' PHE . 24.0 mt -62.41 -48.96 77.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -58.96 -40.36 84.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -72.67 -40.99 65.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 18.2 m-85 -53.78 -44.84 70.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -71.47 -44.23 65.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 123' ' ' ARG . 5.3 mmm180 -59.48 -29.05 67.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -76.4 176.95 51.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.2 m -66.02 -59.41 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.816 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 99.84 146.18 19.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 171.79 13.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.3 m -151.04 159.13 44.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 94.3 p -137.65 143.03 41.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.9 m -72.93 130.68 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.3 p -67.77 -43.99 78.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.83 -143.69 8.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.4 p -91.59 160.74 15.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.8 p -64.84 115.17 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.56 78.58 0.26 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.13 10.36 22.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' VAL . 44.0 mttt -80.02 -43.75 21.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.0 t -33.92 -58.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -54.03 -57.18 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 55.2 t80 -49.49 -58.01 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -43.45 -56.72 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -46.51 -54.48 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -50.38 -57.29 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.597 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -48.13 -43.74 31.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -56.1 -47.96 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -67.02 -47.99 69.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.4 -55.09 37.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 52' ' ' MET . 89.9 t -51.37 -61.05 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.502 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.9 t -46.5 -61.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -43.44 -41.12 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' A' ' 68' ' ' LYS . 3.8 t80 -68.18 -44.38 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.879 HG12 HD11 ' A' ' 90' ' ' LEU . 84.7 mt -53.93 -53.66 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -60.14 -44.32 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.46 111.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.1 p -77.4 -27.98 52.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.69 -34.26 86.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -86.57 120.49 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.94 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 1.005 HG22 ' CE2' ' A' ' 111' ' ' PHE . 11.9 pt -101.28 -27.87 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 66' ' ' ILE . 18.6 pttm -141.98 146.75 35.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.585 ' HB3' HD11 ' A' ' 106' ' ' ILE . 43.3 tttm -128.13 118.57 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -95.71 134.8 38.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.672 ' HB2' HG13 ' A' ' 104' ' ' VAL . 90.2 m-85 -116.75 140.05 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.449 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 38.5 tt0 -84.19 138.51 39.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.449 ' HD2' ' CG ' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.76 81.5 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.1 mtm -75.4 -43.64 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.497 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 5.4 t-20 -129.1 177.16 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -87.08 -36.87 17.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 77' ' ' GLU . 28.4 mm -88.62 -39.15 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.497 ' OE2' ' CB ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -36.82 -39.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.434 ' CG ' ' HB ' ' A' ' 104' ' ' VAL . 10.1 ttm180 -56.41 -57.83 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -53.5 -52.97 57.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.2 mt -50.66 -47.3 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.769 HD23 HG11 ' A' ' 104' ' ' VAL . 26.2 tp -58.69 -41.65 86.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -55.8 -47.78 76.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 87' ' ' VAL . 29.9 t70 -58.73 -47.23 85.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.84 -37.34 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 81' ' ' LEU . 57.5 t -69.27 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 4.9 pt-20 -46.2 -33.36 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 83' ' ' ASP . 90.4 t -74.85 -40.03 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.579 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -64.81 -33.06 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.38 36.92 2.19 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.879 HD11 HG12 ' A' ' 60' ' ' ILE . 69.4 mt -127.07 167.59 15.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 85.7 m -90.59 125.88 35.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 p -112.99 151.98 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 18.5 m-85 -161.73 162.04 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.439 ' O ' ' NH1' ' A' ' 122' ' ' ARG . 45.8 m -123.45 124.44 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.577 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 36.9 m-85 -134.79 125.1 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.05 147.88 19.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -79.31 -44.69 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 101' ' ' CYS . 7.7 t0 -116.66 142.38 46.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -44.25 -47.98 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -65.58 -42.46 91.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' ASP . 9.6 t -95.51 105.92 17.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -130.68 109.93 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 20.8 p90 -94.41 165.82 12.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.769 HG11 HD23 ' A' ' 81' ' ' LEU . 12.3 p -117.79 135.16 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 70.2 mtp -125.93 161.85 26.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' A' ' 68' ' ' LYS . 11.5 pt -140.18 149.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.531 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 5.9 m-85 -129.96 167.92 17.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.632 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 44.1 mttt -90.81 165.27 13.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -58.08 -43.36 86.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.593 ' OE1' ' CZ ' ' A' ' 111' ' ' PHE . 0.2 OUTLIER -83.28 -39.41 20.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 1.005 ' CE2' HG22 ' A' ' 66' ' ' ILE . 37.6 m-85 -90.44 17.98 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.42 145.08 92.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.531 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.7 Cg_endo -69.81 154.92 66.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -89.2 164.44 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -67.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -52.11 -44.25 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.492 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 70.6 mm-40 -60.56 -40.28 91.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.47 -53.78 54.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -52.93 -50.0 64.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.9 m -63.67 -41.02 98.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.492 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 12.4 m-85 -53.52 -39.63 64.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 94' ' ' SER . 68.7 mtp85 -77.04 -33.24 57.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -63.73 -28.97 70.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.31 -40.48 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.6 m -51.99 156.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 178.82 167.92 37.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.68 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.388 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.5 t -79.93 130.8 35.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 90.5 p -90.5 -29.33 17.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -103.38 152.29 21.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.818 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -66.58 137.93 57.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.06 121.06 1.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.8 m -109.65 130.47 55.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.4 p -120.79 121.51 38.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.73 164.93 17.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.533 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -100.71 147.8 25.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' VAL . 4.0 mptt -41.11 -34.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 91.1 t -35.12 -67.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -42.4 -57.79 2.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' HD2' HG21 ' A' ' 80' ' ' ILE . 33.5 t80 -48.76 -62.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.775 ' HD3' HG23 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -36.02 -56.15 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -50.69 -52.46 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -56.78 -46.83 81.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.565 ' O ' HG23 ' A' ' 56' ' ' VAL . 27.3 mmt -62.11 -39.73 93.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.622 ' OE1' HG13 ' A' ' 84' ' ' VAL . 13.3 mm-40 -64.24 -54.49 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -56.72 -44.98 82.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.58 -59.77 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 52' ' ' MET . 79.7 t -45.43 -59.26 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -43.53 -56.0 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -48.74 -41.71 32.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.3 t80 -68.76 -43.09 76.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.759 ' CG1' HD11 ' A' ' 90' ' ' LEU . 84.7 mt -55.28 -52.67 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -59.74 -45.51 92.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.81 106.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.6 p -76.34 -23.24 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.35 -36.71 93.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -90.66 119.16 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.754 HG22 ' CE2' ' A' ' 111' ' ' PHE . 23.4 pt -95.22 -27.95 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.417 ' N ' HG13 ' A' ' 66' ' ' ILE . 12.7 ptpt -143.56 161.66 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.478 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 26.4 ttpt -149.69 140.79 22.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HE3' ' CD2' ' A' ' 103' ' ' TYR . 73.0 tttt -106.51 137.61 44.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.701 ' HB2' HG13 ' A' ' 104' ' ' VAL . 57.6 m-85 -114.66 118.39 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -63.13 139.03 97.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 79.98 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 21.3 mtm -76.75 -42.36 41.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -128.06 177.57 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -93.08 -29.92 15.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.3 mm -95.8 -24.31 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.9 pt-20 -42.61 -27.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -64.88 -55.29 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.3 t -57.6 -41.92 82.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.775 HG23 ' HD3' ' A' ' 49' ' ' ARG . 41.8 mt -63.28 -56.51 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.707 HD23 HG11 ' A' ' 104' ' ' VAL . 38.6 tp -56.5 -42.89 79.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.532 ' CD2' ' HB3' ' A' ' 92' ' ' SER . 5.6 m80 -53.23 -54.54 34.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 87' ' ' VAL . 19.6 t70 -54.42 -44.05 72.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.622 HG13 ' OE1' ' A' ' 53' ' ' GLU . 87.2 t -60.13 -38.52 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.694 HG13 ' HB2' ' A' ' 90' ' ' LEU . 74.1 t -69.6 -60.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.7 pt-20 -45.8 -35.26 4.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 83' ' ' ASP . 95.0 t -74.52 -38.97 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.683 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.08 -31.91 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.27 35.01 2.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.759 HD11 ' CG1' ' A' ' 60' ' ' ILE . 93.8 mt -127.02 168.09 15.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.0 m -100.65 136.51 40.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.532 ' HB3' ' CD2' ' A' ' 82' ' ' HIS . 1.1 t -127.96 159.0 36.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 46.0 m-85 -163.01 160.56 24.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -115.17 119.86 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.599 ' O ' ' CE2' ' A' ' 103' ' ' TYR . 31.0 m-85 -136.45 123.71 21.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.26 153.56 22.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -76.39 -35.38 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -125.77 137.17 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -42.76 -37.18 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -67.83 -42.25 81.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 86.3 m -102.46 117.85 35.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -141.94 108.91 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 95' ' ' PHE . 21.4 p90 -90.03 165.93 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.707 HG11 HD23 ' A' ' 81' ' ' LEU . 7.4 p -115.3 112.01 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.2 mmm -97.36 163.16 13.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.447 HG22 ' OG ' ' A' ' 92' ' ' SER . 5.6 pt -143.73 137.57 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.532 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 9.4 m-85 -121.66 166.48 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.683 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 30.7 mttt -87.78 173.85 8.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -63.47 -49.08 75.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -79.22 -38.66 35.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.754 ' CE2' HG22 ' A' ' 66' ' ' ILE . 63.3 m-85 -89.47 17.94 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.82 144.63 90.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 0.0 111.153 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.532 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.5 Cg_endo -69.77 152.1 69.19 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.719 2.28 . . . . 0.0 112.297 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.6 m -92.83 166.36 12.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -55.78 -67.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -52.89 -41.66 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 19.8 mm-40 -63.29 -38.84 92.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.64 -48.69 80.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.79 -43.33 94.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.8 p -68.91 -39.22 79.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.539 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 17.6 m-85 -56.34 -44.7 80.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -67.53 -47.54 69.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -58.8 -28.81 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 117.43 -86.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.2 p -147.98 143.74 27.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -171.63 -64.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -0.24 6.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.334 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.8 m -93.75 129.72 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 67.2 m -78.59 144.49 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.0 t -144.61 109.52 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.4 p -57.06 124.96 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 164.79 -176.07 40.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 m -55.44 -57.91 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.1 m -66.94 127.76 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.67 -94.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -131.68 161.58 32.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.457 ' HG2' HD11 ' A' ' 80' ' ' ILE . 3.4 mptt -85.4 -39.13 17.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 t -44.71 -68.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -45.49 -47.02 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -56.17 -51.68 67.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -48.46 -53.1 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -51.86 -49.87 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -55.48 -43.11 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.704 ' O ' HG23 ' A' ' 56' ' ' VAL . 32.6 mmt -63.18 -44.86 94.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HG2' HG13 ' A' ' 84' ' ' VAL . 20.5 mt-10 -53.95 -45.39 71.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.489 ' CD ' ' C ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -63.52 -58.24 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -49.3 -49.46 43.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 52' ' ' MET . 87.4 t -55.65 -61.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.802 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.7 t -44.41 -56.82 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -46.68 -46.53 20.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.8 t80 -64.3 -36.97 85.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 57' ' ' SER . 94.1 mt -56.06 -56.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -58.54 -44.63 89.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.99 120.48 6.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.4 p -87.83 -48.17 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.42 -39.7 4.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -86.9 131.58 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 1.087 HG22 ' CE2' ' A' ' 111' ' ' PHE . 11.9 pt -106.34 -22.95 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -147.07 161.99 39.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HB3' HD11 ' A' ' 106' ' ' ILE . 63.4 tttt -136.22 129.45 31.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -103.61 121.28 42.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.739 ' HB2' HG13 ' A' ' 104' ' ' VAL . 48.6 m-85 -100.82 158.23 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -100.01 137.95 20.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.727 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 80.73 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.1 mtm -83.01 -42.84 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -128.59 158.16 39.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -76.92 -33.96 57.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.0 mm -91.12 -15.81 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.96 -37.31 63.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.593 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 4.9 mtm105 -59.98 -44.48 94.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -63.58 -55.46 23.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.457 HD11 ' HG2' ' A' ' 45' ' ' LYS . 52.8 mt -54.39 -55.5 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 85' ' ' VAL . 17.2 tp -59.08 -37.83 78.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 9.2 m-70 -55.55 -44.84 77.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.2 t70 -66.88 -42.43 85.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.525 HG13 ' HG2' ' A' ' 53' ' ' GLU . 98.4 t -58.91 -36.4 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 81' ' ' LEU . 93.3 t -72.59 -62.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -46.94 -33.98 5.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 83' ' ' ASP . 76.5 t -73.58 -44.26 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -59.57 -32.58 70.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.14 37.2 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.733 HD11 HG12 ' A' ' 60' ' ' ILE . 89.7 mt -127.01 170.89 11.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.2 m -91.8 140.03 30.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.5 p -130.19 142.62 50.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -157.45 135.24 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.2 p -93.1 113.62 25.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.593 ' O ' ' CE1' ' A' ' 103' ' ' TYR . 70.6 m-85 -121.59 124.04 43.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.12 152.84 22.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -85.38 -38.06 19.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.75 137.29 53.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 99' ' ' ASP . 5.9 t0 -45.06 -42.8 8.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -66.45 -42.25 87.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 11.1 t -110.01 107.93 17.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.407 ' CD ' HH21 ' A' ' 78' ' ' ARG . 10.5 ptt180 -132.06 120.81 22.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 25.1 p90 -96.29 165.52 12.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.739 HG13 ' HB2' ' A' ' 70' ' ' PHE . 4.3 p -110.6 138.54 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.6 mtp -128.92 162.01 28.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 68' ' ' LYS . 19.4 pt -140.54 143.38 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.75 162.37 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 39.3 mttt -82.87 174.11 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -66.33 -49.82 65.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.94 -40.4 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 1.087 ' CE2' HG22 ' A' ' 66' ' ' ILE . 58.0 m-85 -86.37 18.02 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.43 144.71 92.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 111.079 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.456 ' CG ' HD21 ' A' ' 118' ' ' LEU . 53.9 Cg_endo -69.77 158.71 56.01 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 m -91.21 161.54 15.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.86 -66.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -52.09 -47.99 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.47 -43.42 79.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.456 HD21 ' CG ' ' A' ' 113' ' ' PRO . 29.4 mt -54.91 -52.05 64.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -53.46 -48.61 68.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.7 m -67.58 -34.35 76.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -56.19 -45.36 79.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.46 -43.45 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -58.71 -27.24 64.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 79.86 42.92 10.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -77.98 146.15 35.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -89.23 -169.64 44.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 103.98 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.385 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 96.4 p -132.12 156.79 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 90.6 p -101.74 130.17 48.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 m -79.42 126.26 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.884 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -80.82 -56.59 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.74 -68.8 2.28 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -67.79 111.26 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -40.4 -53.27 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.59 122.0 7.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -141.0 150.69 43.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' VAL . 42.8 mttp -44.89 -43.1 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' LYS . 71.9 t -36.05 -68.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -45.03 -62.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 92.0 t80 -43.12 -55.34 3.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -44.68 -58.47 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -46.05 -52.01 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -50.41 -57.2 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -50.74 -46.82 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -52.27 -41.68 63.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -69.75 -47.52 62.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.96 -54.74 43.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.5 t -52.92 -59.56 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.626 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.9 t -43.38 -55.7 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -49.17 -44.61 42.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -65.86 -39.48 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.838 HG12 HD11 ' A' ' 90' ' ' LEU . 85.1 mt -54.49 -61.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -55.84 -46.47 78.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -59.88 116.12 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.2 m -76.86 -49.82 14.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.6 -40.31 2.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -81.47 116.41 21.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.607 HG22 ' CE2' ' A' ' 111' ' ' PHE . 12.0 pt -99.99 -17.73 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' HD2' ' CE ' ' A' ' 105' ' ' MET . 20.6 pttp -153.95 157.38 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HB3' HD11 ' A' ' 106' ' ' ILE . 41.7 tttt -136.14 116.08 13.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.5 ' HE2' ' CG ' ' A' ' 103' ' ' TYR . 9.8 tmtt? -95.84 115.5 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.62 ' HB2' HG13 ' A' ' 104' ' ' VAL . 87.7 m-85 -93.13 147.91 22.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -85.32 138.39 36.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.57 0.7 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 80.2 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.5 mtm -83.38 -42.61 16.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -128.38 156.15 43.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -27.96 58.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.2 mm -95.71 -14.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -56.84 -36.03 69.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' O ' ' ND1' ' A' ' 82' ' ' HIS . 4.5 mtm105 -60.3 -44.03 95.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -63.7 -57.47 9.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.8 mt -52.98 -60.12 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.821 HD23 HG11 ' A' ' 104' ' ' VAL . 22.3 tp -52.4 -42.02 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.401 ' ND1' ' O ' ' A' ' 78' ' ' ARG . 3.9 m170 -51.85 -59.27 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.4 t70 -50.46 -45.19 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.0 t -58.14 -37.46 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 81' ' ' LEU . 86.9 t -65.88 -38.7 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.23 -49.33 64.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 83' ' ' ASP . 51.5 t -57.22 -39.87 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.801 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.01 -34.91 79.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.88 37.19 2.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.838 HD11 HG12 ' A' ' 60' ' ' ILE . 96.2 mt -126.51 160.47 30.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -77.61 145.12 36.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.534 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -124.73 153.99 41.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 92' ' ' SER . 32.2 m-85 -168.38 162.34 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.95 123.63 22.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 20.2 m-85 -133.14 128.31 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.09 153.62 22.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -86.39 -28.05 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -124.15 129.63 51.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -43.4 -34.38 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.51 -42.2 53.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 41.5 t -103.33 117.22 34.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -140.54 117.57 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.5 ' CG ' ' HE2' ' A' ' 69' ' ' LYS . 4.1 p90 -90.02 165.11 14.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.821 HG11 HD23 ' A' ' 81' ' ' LEU . 10.8 p -111.04 122.76 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.5 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 45.2 mtp -115.91 146.18 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 68' ' ' LYS . 13.1 pt -124.15 146.35 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.14 166.45 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.654 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 32.5 mttt -88.93 174.24 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -68.64 -46.82 68.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.05 -40.24 28.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.607 ' CE2' HG22 ' A' ' 66' ' ' ILE . 45.6 m-85 -87.49 18.01 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.3 144.94 92.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.443 ' HG2' HD21 ' A' ' 118' ' ' LEU . 54.0 Cg_endo -69.73 160.04 51.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -95.41 164.05 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.51 -66.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.5 -44.47 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 56.7 mm-40 -60.55 -36.44 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.443 HD21 ' HG2' ' A' ' 113' ' ' PRO . 31.4 mt -62.81 -46.93 85.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -59.24 -43.2 92.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.3 m -71.36 -41.79 69.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 14.3 m-85 -51.42 -47.9 62.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mtp-105 -69.79 -43.46 72.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -59.21 -28.59 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.54 -76.38 2.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.4 m -129.45 168.66 16.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.84 70.17 0.84 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.543 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 174.83 8.94 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.5 t -96.23 147.55 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 68.0 m -124.79 158.94 32.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 61.1 p -76.14 130.39 38.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.6 p -77.36 125.85 29.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.29 141.07 1.22 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.539 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.1 m -94.63 160.61 14.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.824 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -147.05 147.7 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.21 39.64 2.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -110.3 -37.95 5.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.496 ' HD2' HD11 ' A' ' 80' ' ' ILE . 35.4 mmtt -55.25 -32.4 62.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.463 ' C ' ' O ' ' A' ' 45' ' ' LYS . 86.3 t -33.04 -65.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -43.54 -58.75 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 77' ' ' GLU . 75.2 t80 -45.55 -55.88 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -47.21 -46.01 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -55.59 26.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -48.68 -54.51 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.447 ' HE3' ' N ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -50.03 -48.35 52.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.79 -48.51 59.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -65.52 -45.58 82.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -61.51 -65.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.2 t -42.39 -56.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 t -46.65 -55.92 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -48.15 -43.21 31.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 1.5 t80 -65.96 -42.62 89.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.797 HD11 ' HB1' ' A' ' 88' ' ' ALA . 95.9 mt -56.13 -56.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -56.15 -45.78 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.57 ' CG ' ' NE2' ' A' ' 65' ' ' GLN . 3.4 t0 -61.01 112.4 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.7 t -69.97 -49.07 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.86 -39.29 11.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.57 ' NE2' ' CG ' ' A' ' 62' ' ' ASP . 2.0 mp0 -72.91 120.26 18.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 1.104 HG22 ' CE2' ' A' ' 111' ' ' PHE . 7.6 pt -106.0 -28.26 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 66' ' ' ILE . 11.0 ptpt -151.12 160.35 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.612 ' HB3' HD11 ' A' ' 106' ' ' ILE . 41.4 tttp -145.62 129.23 17.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -112.75 108.42 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -82.37 169.12 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -103.17 139.76 20.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.7 mtm -95.28 -44.65 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -130.11 177.2 7.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -90.22 -35.72 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.7 mm -85.05 -37.57 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.652 ' HA ' HD12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -40.61 -33.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.499 ' CD ' ' HB ' ' A' ' 104' ' ' VAL . 12.4 mmp_? -60.36 -64.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 t -47.16 -45.93 23.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 77' ' ' GLU . 10.6 mt -59.97 -56.61 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.837 HD23 HG11 ' A' ' 104' ' ' VAL . 24.3 tp -52.12 -42.21 63.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -54.96 -53.39 56.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 87' ' ' VAL . 5.6 t0 -53.74 -45.54 70.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.3 t -56.69 -38.5 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.714 HG13 ' HB2' ' A' ' 90' ' ' LEU . 95.8 t -68.83 -65.56 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.9 pt-20 -41.17 -35.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 83' ' ' ASP . 90.9 t -73.66 -41.01 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.797 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -64.29 -34.43 78.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.03 35.36 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.714 ' HB2' HG13 ' A' ' 85' ' ' VAL . 58.7 mt -126.93 170.01 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.7 m -95.59 120.47 35.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.1 p -108.82 146.23 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.579 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 14.4 m-85 -153.57 168.39 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.8 p -125.27 109.68 13.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.596 ' CE1' ' HG2' ' A' ' 122' ' ' ARG . 95.1 m-85 -122.91 124.07 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.99 142.83 13.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -73.36 -41.78 63.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -116.26 165.89 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.94 -42.84 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -69.97 -42.14 73.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 10.5 t -96.38 115.76 27.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 61.3 mtm-85 -136.2 104.89 5.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 23.6 p90 -89.78 166.21 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.837 HG11 HD23 ' A' ' 81' ' ' LEU . 7.4 p -115.34 146.24 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 60.9 mtp -131.56 151.27 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.612 HD11 ' HB3' ' A' ' 68' ' ' LYS . 23.3 pt -131.88 144.61 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.526 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 8.8 m-85 -131.36 157.41 43.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 47.8 mttt -84.16 172.93 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -55.65 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -72.97 -40.48 65.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 1.104 ' CE2' HG22 ' A' ' 66' ' ' ILE . 44.4 m-85 -86.45 18.05 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.34 144.56 92.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.526 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.9 Cg_endo -69.8 159.81 52.02 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 13.8 m -95.27 162.31 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -54.64 -67.5 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -52.13 -47.67 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.478 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 5.7 mm-40 -56.54 -42.55 78.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.0 mt -56.1 -50.07 72.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -57.44 -39.5 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.3 t -69.9 -45.7 67.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -52.9 -45.84 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.596 ' HG2' ' CE1' ' A' ' 95' ' ' PHE . 38.4 mtt180 -66.43 -43.44 85.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -58.76 -28.77 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 148.97 -163.81 29.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.3 t -127.11 149.1 50.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 143.15 -176.62 22.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 167.17 25.13 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.1 t -74.1 -54.38 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 20.5 p 52.03 40.13 27.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.524 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -79.81 143.83 34.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.8 t -82.23 -60.63 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.74 -131.18 7.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.9 p -110.33 130.44 55.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.9 p -135.83 161.26 36.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.89 -161.93 38.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -156.51 151.5 26.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.946 ' NZ ' HG21 ' A' ' 76' ' ' ILE . 12.5 mtpp -56.69 -43.74 80.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.3 t -41.05 -65.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -41.28 -50.51 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.618 ' HD2' HG21 ' A' ' 80' ' ' ILE . 88.3 t80 -57.95 -43.43 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -52.21 -51.36 58.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -57.02 -49.55 75.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -49.16 -46.96 46.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.405 ' HB2' HG21 ' A' ' 84' ' ' VAL . 25.1 mmt -60.84 -41.65 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -53.86 -47.73 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -65.05 -45.75 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -60.37 -62.18 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.419 ' CG1' HD12 ' A' ' 90' ' ' LEU . 70.1 t -45.86 -56.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.541 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.6 t -45.23 -53.34 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -49.92 -45.33 50.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 2.7 t80 -62.82 -38.83 92.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.025 ' CG1' HD11 ' A' ' 90' ' ' LEU . 81.1 mt -56.11 -53.33 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.29 -42.01 90.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -60.55 115.33 3.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -72.81 -60.01 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.29 -38.0 1.8 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -74.28 123.11 23.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.48 HG13 ' N ' ' A' ' 67' ' ' LYS . 13.6 pt -117.96 -29.4 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.48 ' N ' HG13 ' A' ' 66' ' ' ILE . 43.2 pttt -156.77 144.56 19.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 69' ' ' LYS . 29.9 tttp -153.17 147.18 25.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.488 ' CB ' ' HG2' ' A' ' 105' ' ' MET . 8.3 pttm -114.22 129.03 56.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.48 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 57.1 m-85 -89.98 137.67 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.411 ' O ' ' SD ' ' A' ' 73' ' ' MET . 52.6 mm-40 -63.64 139.68 97.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -88.15 -44.85 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -130.46 172.42 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -80.7 -27.18 37.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.946 HG21 ' NZ ' ' A' ' 45' ' ' LYS . 40.9 mm -95.15 -29.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 1.6 pp20? -33.68 -38.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.479 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 32.1 ttp85 -60.11 -54.11 49.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' ILE . 9.6 m -58.89 -52.3 66.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.618 HG21 ' HD2' ' A' ' 48' ' ' PHE . 31.0 mt -50.91 -62.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.797 HD23 HG11 ' A' ' 104' ' ' VAL . 46.3 tp -51.49 -45.65 62.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 21.2 m-70 -48.62 -43.45 36.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.654 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.9 t0 -67.67 -42.41 82.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.405 HG21 ' HB2' ' A' ' 52' ' ' MET . 78.6 t -62.14 -40.69 88.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.17 -60.64 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.8 pt-20 -47.23 -37.95 11.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 83' ' ' ASP . 85.1 t -72.4 -41.03 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.2 -31.59 72.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.49 34.73 3.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.53 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.025 HD11 ' CG1' ' A' ' 60' ' ' ILE . 87.1 mt -126.95 166.08 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.423 ' CG2' ' CE2' ' A' ' 93' ' ' PHE . 22.0 m -83.36 131.56 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 p -118.21 146.8 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.512 ' CE2' ' HG2' ' A' ' 113' ' ' PRO . 37.3 m-85 -160.23 167.76 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.7 m -132.66 116.06 16.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 93' ' ' PHE . 88.9 m-85 -125.81 124.89 41.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.08 136.36 8.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.51 -45.26 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -117.65 162.43 18.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.8 -40.29 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 32.4 t -90.63 109.77 20.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -132.14 105.74 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 9.1 p90 -108.11 151.94 25.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.797 HG11 HD23 ' A' ' 81' ' ' LEU . 13.9 p -92.02 156.41 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.488 ' HG2' ' CB ' ' A' ' 69' ' ' LYS . 10.7 mtp -140.58 160.73 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.8 pt -144.7 138.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.23 172.26 8.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.588 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 37.0 mttt -92.32 173.02 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.41 -47.49 76.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.21 -39.62 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -87.22 17.98 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.16 144.15 92.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.512 ' HG2' ' CE2' ' A' ' 93' ' ' PHE . 53.8 Cg_endo -69.75 159.81 52.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.302 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 m -96.34 164.53 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -55.22 -67.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.28 -46.16 69.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 76.3 mm-40 -57.8 -40.66 80.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.52 -50.6 73.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -55.34 -43.29 74.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.6 m -70.59 -40.03 73.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 15.0 m-85 -52.81 -50.22 64.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -68.88 -46.68 67.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -60.05 -25.08 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 89.35 -143.59 17.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.7 p -147.75 166.29 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.402 . . . . 0.0 110.871 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -159.04 -80.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 179.14 3.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.298 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.9 t -118.58 148.57 42.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 m -65.95 112.62 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m 63.21 40.41 8.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -86.47 115.59 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.85 -177.3 32.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.4 p -131.17 159.25 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 t -67.93 119.96 13.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.62 85.95 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -129.15 119.09 23.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' VAL . 23.6 mmtm -46.57 -38.48 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' LYS . 85.2 t -33.7 -59.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' VAL . 73.1 mt-10 -37.9 -59.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 88.0 t80 -51.78 -52.4 49.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -40.85 -54.86 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -57.44 -52.23 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -51.56 -40.02 58.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.602 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 34.5 mmt -67.24 -43.43 81.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HG2' HG13 ' A' ' 84' ' ' VAL . 57.1 mt-10 -54.27 -41.65 69.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -67.65 -48.48 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.48 -57.84 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 52' ' ' MET . 96.9 t -47.97 -60.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.7 t -47.27 -58.32 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -44.44 -44.0 8.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -65.56 -44.62 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.873 HG12 HD11 ' A' ' 90' ' ' LEU . 85.5 mt -53.73 -59.33 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -56.83 -43.06 80.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.39 110.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -63.61 -54.46 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.56 -39.63 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -73.14 121.98 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 67' ' ' LYS . 8.0 pt -114.98 -26.55 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 66' ' ' ILE . 43.9 pttt -154.14 148.6 26.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.732 ' HB3' HD11 ' A' ' 106' ' ' ILE . 46.7 tttm -139.39 143.89 37.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -123.42 121.2 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.552 ' HB2' HG13 ' A' ' 104' ' ' VAL . 87.4 m-85 -91.15 169.23 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.416 ' O ' ' SD ' ' A' ' 73' ' ' MET . 11.0 mm100 -105.18 138.77 19.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.1 Cg_endo -69.81 82.73 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.416 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 2.5 mpp? -77.03 -45.14 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.51 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 3.4 m120 -130.7 177.82 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -91.1 -29.15 17.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.555 HG22 HD11 ' A' ' 80' ' ' ILE . 33.2 mm -87.16 -43.73 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.879 ' HA ' HD12 ' A' ' 80' ' ' ILE . 5.9 mm-40 -39.83 -31.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' NH2' ' C ' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -55.77 -61.22 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.6 t -56.95 -42.67 80.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.879 HD12 ' HA ' ' A' ' 77' ' ' GLU . 16.8 mt -57.56 -59.97 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.871 HD23 HG11 ' A' ' 104' ' ' VAL . 36.5 tp -51.39 -43.26 61.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.426 ' NE2' ' HD2' ' A' ' 78' ' ' ARG . 3.2 m-70 -55.66 -42.98 75.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.74 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.4 t70 -61.99 -45.39 93.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.428 HG13 ' HG2' ' A' ' 53' ' ' GLU . 88.9 t -63.16 -35.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 81' ' ' LEU . 69.5 t -70.46 -56.66 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -51.85 -34.55 41.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 83' ' ' ASP . 86.6 t -71.47 -43.19 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.89 -33.59 75.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.55 37.49 1.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.873 HD11 HG12 ' A' ' 60' ' ' ILE . 84.5 mt -126.74 163.82 22.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -86.46 145.69 26.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.6 p -139.01 141.38 38.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 35.9 m-85 -151.38 153.79 35.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.7 p -111.62 110.76 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 43.1 m-85 -126.99 123.9 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.37 166.55 25.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -82.23 -37.92 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -129.53 153.88 47.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -46.13 -50.44 15.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -65.01 -42.19 94.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.42 104.81 17.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.411 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 43.5 mtp180 -138.06 116.2 11.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.552 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 4.0 p90 -101.79 165.3 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.871 HG11 HD23 ' A' ' 81' ' ' LEU . 11.9 p -109.21 144.22 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.6 mtp -130.74 163.78 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.732 HD11 ' HB3' ' A' ' 68' ' ' LYS . 17.9 pt -142.93 146.98 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.461 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 18.4 m-85 -135.25 164.79 26.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 34.2 mttt -89.25 174.26 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -63.46 -58.13 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -72.1 -40.49 68.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.407 ' CG ' ' HB ' ' A' ' 66' ' ' ILE . 25.7 m-85 -84.93 17.95 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -69.75 143.71 92.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.572 0.701 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.461 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.8 Cg_endo -69.82 159.91 51.62 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 m -95.93 166.39 11.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -56.57 -65.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -52.69 -49.26 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 5.1 mm-40 -56.49 -44.98 81.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.3 mt -52.59 -49.11 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -63.45 -38.46 91.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.1 m -74.12 -25.55 59.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 15.4 m-85 -73.45 -47.63 40.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.545 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -70.33 -33.21 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -71.12 0.8 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.38 98.81 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.6 t -57.94 -42.22 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.66 172.81 27.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.39 38.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.344 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.5 t -156.26 155.45 32.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -63.47 129.71 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.1 p -121.6 119.6 32.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -77.49 148.1 35.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.37 79.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.1 t -45.78 -60.39 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.2 p -94.97 115.77 27.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 44' ' ' GLN . . . 151.26 -43.2 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -34.49 -41.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 44' ' ' GLN . 16.6 mttm -34.4 -48.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' LYS . 70.4 t -34.68 -66.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -45.64 -55.68 6.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 68.1 t80 -52.15 -60.81 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 -40.45 -48.64 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -55.36 -54.44 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -49.43 -51.62 34.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.591 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -51.79 -46.54 64.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -55.74 -41.49 74.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -50.22 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.42 -54.71 42.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 52' ' ' MET . 98.4 t -54.97 -61.14 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.739 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.8 t -44.32 -58.1 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -46.25 -44.36 16.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.0 -43.15 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' A' ' 57' ' ' SER . 61.1 mt -53.43 -59.52 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -53.7 -42.37 67.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.92 121.98 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 t -83.68 -61.84 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -39.18 -39.68 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -82.48 118.7 23.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.484 HG22 ' CE2' ' A' ' 111' ' ' PHE . 25.1 pt -100.15 -29.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 66' ' ' ILE . 50.7 pttt -143.07 153.8 43.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HB3' HD11 ' A' ' 106' ' ' ILE . 42.2 tttm -134.56 139.52 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.485 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 1.4 ttpm? -108.04 125.78 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.815 ' HB2' HG13 ' A' ' 104' ' ' VAL . 42.7 m-85 -96.34 161.72 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.447 ' NE2' ' HD2' ' A' ' 72' ' ' PRO . 14.9 tm0? -107.67 136.21 19.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HD2' ' NE2' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.79 83.28 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.6 mtm -82.7 -42.42 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -128.24 177.79 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -91.29 -32.2 15.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.0 mm -91.66 -30.19 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.6 pt-20 -39.64 -30.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.431 ' N ' ' HG3' ' A' ' 77' ' ' GLU . 37.9 ttp85 -64.27 -57.2 10.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -54.71 -47.91 73.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.1 mt -59.77 -58.06 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.675 HD23 HG11 ' A' ' 104' ' ' VAL . 20.3 tp -51.89 -43.63 63.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -54.96 -47.06 75.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.678 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.3 t0 -57.48 -47.17 82.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.1 t -60.71 -36.48 71.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.55 HG13 ' HB2' ' A' ' 90' ' ' LEU . 84.7 t -69.57 -57.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 10.2 pt-20 -49.58 -34.11 16.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 83' ' ' ASP . 84.2 t -75.01 -41.78 45.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.63 75.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.09 40.34 1.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.609 HD11 ' CG1' ' A' ' 60' ' ' ILE . 91.9 mt -126.86 169.68 13.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.8 m -92.96 134.26 35.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 92.8 p -123.18 127.77 49.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 29.5 m-85 -142.84 125.54 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -86.41 112.41 21.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 57.7 m-85 -118.99 124.41 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.49 141.66 12.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -76.66 -36.31 57.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.443 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 10.7 p-10 -130.97 154.98 47.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -41.2 93.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.93 -42.61 94.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.3 t -110.32 113.74 26.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpt85 -128.33 104.69 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 20.1 p90 -93.93 160.33 14.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.815 HG13 ' HB2' ' A' ' 70' ' ' PHE . 8.8 p -110.66 141.94 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.485 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 47.2 mtp -127.05 164.0 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 68' ' ' LYS . 7.7 pt -141.95 142.33 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -127.1 157.52 39.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 40.9 mttt -79.09 174.3 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -58.4 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -69.34 -36.77 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.484 ' CE2' HG22 ' A' ' 66' ' ' ILE . 51.0 m-85 -91.46 17.97 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -69.6 144.81 94.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 111.067 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.428 ' HG2' HD21 ' A' ' 118' ' ' LEU . 53.8 Cg_endo -69.76 155.9 64.75 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 m -89.69 165.44 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -67.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.7 -46.99 59.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 52.7 mt-10 -58.55 -45.06 89.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.428 HD21 ' HG2' ' A' ' 113' ' ' PRO . 19.4 mt -51.91 -50.8 60.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.58 -57.36 12.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.564 ' HA ' ' CG ' ' A' ' 123' ' ' ARG . 5.6 p -58.63 -34.11 70.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 6.7 m-85 -56.75 -48.06 78.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -64.41 -56.53 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.564 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 4.0 ptp180 -61.04 -26.36 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.41 143.67 13.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.0 p -78.41 118.23 20.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -169.82 136.31 3.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 112.17 3.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.352 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.9 p -75.27 114.75 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.814 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.5 p -66.18 -48.81 69.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 p 52.23 38.89 25.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.8 m -149.87 119.86 7.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.59 49.92 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -66.41 170.07 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.7 p -107.95 171.57 7.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.09 -95.42 0.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -57.25 -58.02 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.381 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.943 ' HD2' HD11 ' A' ' 80' ' ' ILE . 21.6 mmtm -39.47 -43.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' LYS . 96.4 t -35.12 -66.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' VAL . 40.3 mt-10 -36.09 -58.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 77' ' ' GLU . 94.4 t80 -54.81 -43.7 73.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -48.89 -51.41 30.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -59.88 -48.24 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -53.97 -40.37 66.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.649 ' SD ' HD13 ' A' ' 81' ' ' LEU . 27.5 mmt -67.6 -37.94 83.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.13 -42.02 89.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -67.68 -48.35 66.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.13 -52.98 62.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 52' ' ' MET . 79.2 t -54.11 -62.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.853 ' HA ' HD12 ' A' ' 60' ' ' ILE . 7.4 t -41.5 -56.72 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -47.74 -46.5 30.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.472 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -63.42 -33.66 76.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 57' ' ' SER . 83.3 mt -60.46 -58.0 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -55.91 -45.66 78.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.05 117.07 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 t -82.67 -48.65 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.99 -37.34 4.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -82.63 124.89 30.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.986 HG22 ' CE2' ' A' ' 111' ' ' PHE . 14.2 pt -108.37 -28.58 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' N ' HG13 ' A' ' 66' ' ' ILE . 22.7 pttp -144.64 155.96 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -138.21 144.58 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.474 ' HD3' ' CG ' ' A' ' 103' ' ' TYR . 0.4 OUTLIER -117.2 103.04 9.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.637 ' HB2' HG13 ' A' ' 104' ' ' VAL . 71.4 m-85 -84.26 138.97 32.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -79.73 138.88 54.15 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD3' ' HB3' ' A' ' 103' ' ' TYR . 54.0 Cg_endo -69.78 79.79 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 mtm -74.05 -44.24 54.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -129.73 177.19 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -86.68 -47.78 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 78' ' ' ARG . 1.4 mt -78.17 -34.42 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.654 ' HA ' HD12 ' A' ' 80' ' ' ILE . 26.4 mt-10 -38.99 -30.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' ILE . 20.0 ttp180 -64.96 -54.93 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -57.42 -45.49 84.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.943 HD11 ' HD2' ' A' ' 45' ' ' LYS . 12.2 mt -57.84 -53.28 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.673 HD23 HG11 ' A' ' 104' ' ' VAL . 33.4 tp -55.53 -43.43 75.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.499 ' CE1' ' HB2' ' A' ' 92' ' ' SER . 17.5 m-70 -53.82 -48.95 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.604 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.7 t0 -58.94 -45.62 89.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.1 t -63.12 -36.53 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 81' ' ' LEU . 95.2 t -72.13 -56.79 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -50.43 -35.02 26.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 83' ' ' ASP . 72.2 t -74.36 -40.07 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -60.93 -31.09 70.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.43 34.08 2.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.731 HD11 HG12 ' A' ' 60' ' ' ILE . 88.3 mt -126.96 169.63 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.5 m -89.72 146.45 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.499 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . 29.1 p -132.23 134.59 45.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 14.0 m-85 -156.74 132.45 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -99.34 136.16 39.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 62.5 m-85 -141.75 123.92 15.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.53 157.25 24.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -84.87 -28.96 25.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -119.6 150.35 40.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.81 -35.15 74.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -80.52 -42.26 22.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 85.5 m -96.17 109.66 22.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -142.15 117.68 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.552 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 3.4 p90 -90.06 164.68 14.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.673 HG11 HD23 ' A' ' 81' ' ' LEU . 14.1 p -109.06 123.74 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 16.2 mtp -111.95 161.44 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.1 pt -140.76 141.74 31.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.427 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 4.3 m-85 -122.62 167.65 13.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.649 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 45.8 mttt -93.44 170.55 9.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -61.78 -48.15 81.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -78.87 -37.46 40.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.986 ' CE2' HG22 ' A' ' 66' ' ' ILE . 50.1 m-85 -91.79 18.02 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.85 144.73 90.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.427 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.7 Cg_endo -69.77 154.63 67.47 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.416 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 3.3 m -89.93 161.13 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -54.52 -67.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -51.02 -46.45 61.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.439 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 62.8 mm-40 -58.13 -42.42 85.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.482 HD13 ' CZ ' ' A' ' 93' ' ' PHE . 31.0 mt -56.34 -49.04 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -56.09 -49.17 74.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.4 p -67.27 -34.52 77.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 9.0 m-85 -56.89 -44.72 82.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -71.47 -42.79 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -58.92 -24.89 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 80.37 71.14 1.29 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.9 p -127.84 151.27 49.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 151.77 125.18 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.76 2.307 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.4 m -85.51 118.24 24.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 67.6 m -61.49 -55.23 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.0 t -39.11 -65.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -48.85 -46.42 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CD1' ' OE2' ' A' ' 77' ' ' GLU . 80.7 t80 -55.51 -50.21 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -51.06 -57.39 8.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -47.0 -51.54 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -54.4 -42.0 69.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.612 ' SD ' HD13 ' A' ' 81' ' ' LEU . 34.4 mmt -63.63 -42.82 98.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -55.68 -46.28 77.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -65.27 -46.06 82.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.46 -58.91 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 52' ' ' MET . 81.4 t -46.82 -61.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.495 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.6 t -47.55 -54.1 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -48.91 -43.0 38.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.67 -40.21 88.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.929 ' CG1' HD11 ' A' ' 90' ' ' LEU . 79.0 mt -57.42 -54.85 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -57.99 -42.62 85.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.56 114.61 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m -74.84 -48.77 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.52 -41.6 12.72 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.93 117.54 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.463 HG22 ' CE2' ' A' ' 111' ' ' PHE . 6.9 pt -99.8 -20.1 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -156.02 168.87 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.556 ' HB3' HD11 ' A' ' 106' ' ' ILE . 7.9 ttmt -146.11 133.19 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.57 105.12 15.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.589 ' HB2' HG13 ' A' ' 104' ' ' VAL . 49.2 m-85 -83.61 155.97 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.437 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 18.4 tt0 -103.89 138.51 19.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.646 0.736 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.7 Cg_endo -69.77 89.02 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.2 mtm -83.99 -41.98 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -127.81 177.07 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -88.43 -38.12 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.6 mm -88.51 -36.17 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.93 ' HA ' HD12 ' A' ' 80' ' ' ILE . 49.2 mt-10 -40.91 -29.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.547 ' HD2' ' CD2' ' A' ' 82' ' ' HIS . 2.8 tmm_? -59.9 -58.35 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 t -58.96 -42.45 89.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 77' ' ' GLU . 24.9 mt -54.78 -55.73 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.612 HD13 ' SD ' ' A' ' 52' ' ' MET . 55.4 tp -56.37 -47.88 77.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.547 ' CD2' ' HD2' ' A' ' 78' ' ' ARG . 4.0 m-70 -47.7 -47.43 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.4 t70 -60.75 -51.87 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.6 t -53.08 -35.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 90' ' ' LEU . 74.3 t -69.72 -67.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 4.4 pt-20 -40.66 -33.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 83' ' ' ASP . 88.7 t -77.03 -39.07 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -64.06 -33.69 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.29 32.32 2.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.929 HD11 ' CG1' ' A' ' 60' ' ' ILE . 60.0 mt -127.02 169.49 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.41 ' CG2' ' CE2' ' A' ' 93' ' ' PHE . 83.3 m -92.96 125.81 37.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 85.3 p -113.6 151.72 31.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 92' ' ' SER . 26.7 m-85 -165.8 163.83 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -124.6 130.81 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 103' ' ' TYR . 14.6 m-85 -139.9 126.55 20.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.82 149.13 20.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.95 -47.26 30.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.84 144.44 43.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -44.57 -40.61 5.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.37 -42.24 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 14.2 m -93.33 115.9 28.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -138.63 111.17 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.538 ' CD2' ' O ' ' A' ' 95' ' ' PHE . 4.8 p90 -100.31 165.62 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.589 HG13 ' HB2' ' A' ' 70' ' ' PHE . 1.8 p -114.5 135.64 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 40.0 mtp -123.43 161.98 23.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.556 HD11 ' HB3' ' A' ' 68' ' ' LYS . 15.4 pt -141.61 145.01 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.43 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 7.2 m-85 -130.73 166.15 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.642 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 49.9 mttt -86.54 173.83 9.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -64.4 -52.43 58.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -75.45 -38.09 59.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.463 ' CE2' HG22 ' A' ' 66' ' ' ILE . 69.0 m-85 -90.02 17.97 6.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.82 144.76 91.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.43 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.6 Cg_endo -69.78 159.86 51.82 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -95.68 164.36 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -55.34 -67.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -52.56 -45.37 66.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.489 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 34.2 mt-10 -59.99 -39.43 85.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.9 -48.29 81.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -58.05 -46.79 84.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.7 p -66.85 -40.24 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 13.6 m-85 -52.73 -49.31 65.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' VAL . 6.7 mptt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.807 0.337 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LYS . 84.6 t -34.29 -58.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -51.83 -57.46 9.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 79.7 t80 -49.96 -53.96 22.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -46.11 -54.78 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -49.36 -52.06 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -49.69 -57.15 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -49.5 -45.36 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -53.53 -44.77 69.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -66.61 -47.36 72.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.09 -61.89 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -44.82 -57.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.613 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.5 t -51.99 -56.19 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -47.37 -42.1 21.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.8 t80 -66.53 -37.17 84.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.636 ' CG1' HD11 ' A' ' 90' ' ' LEU . 83.3 mt -58.12 -52.43 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.88 -42.25 98.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.11 108.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -72.63 -45.89 56.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.76 -43.27 11.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -79.09 122.91 26.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.886 HG22 ' CE2' ' A' ' 111' ' ' PHE . 31.4 pt -99.81 -30.46 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.417 ' N ' HG13 ' A' ' 66' ' ' ILE . 16.1 ptpt -142.52 165.45 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.672 ' HB3' HD11 ' A' ' 106' ' ' ILE . 13.9 tttp -150.29 138.15 20.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 28.1 ttmt -121.91 123.69 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.459 ' CD1' HD21 ' A' ' 81' ' ' LEU . 91.5 m-85 -95.28 155.32 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.427 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 36.5 tt0 -93.28 138.02 23.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.77 88.68 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 19.5 mtm -82.95 -41.82 18.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.476 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 38.3 m-80 -127.79 177.2 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -88.8 -30.23 19.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.2 mm -93.98 -32.83 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -44.68 -30.92 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.581 ' HD2' ' CD2' ' A' ' 82' ' ' HIS . 4.8 tmm_? -61.51 -48.47 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.1 t -65.36 -50.13 66.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 77' ' ' GLU . 27.4 mt -51.06 -51.16 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.085 HD23 HG11 ' A' ' 104' ' ' VAL . 32.5 tp -58.11 -42.77 86.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.581 ' CD2' ' HD2' ' A' ' 78' ' ' ARG . 11.7 m-70 -51.95 -51.36 57.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.1 t70 -59.59 -43.34 93.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.87 -35.33 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 81' ' ' LEU . 95.8 t -72.8 -58.73 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.03 -33.75 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 83' ' ' ASP . 91.9 t -76.54 -42.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.493 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -58.55 -33.11 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.27 34.24 2.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.636 HD11 ' CG1' ' A' ' 60' ' ' ILE . 79.9 mt -125.31 168.52 13.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.4 m -87.5 135.28 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.401 ' HB3' HG11 ' A' ' 85' ' ' VAL . 71.0 p -126.75 140.63 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 31.4 m-85 -152.68 125.66 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.411 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 65.9 p -82.08 120.45 25.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 41.0 m-85 -130.1 125.01 34.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.0 140.52 11.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 23.0 pm0 -79.54 -33.67 41.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.811 0.338 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.453 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 5.8 t70 -134.02 142.18 47.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.19 -39.17 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.75 -42.17 86.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 15.6 t -103.37 113.4 26.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -126.42 104.96 8.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 44.2 p90 -96.14 165.52 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 1.085 HG11 HD23 ' A' ' 81' ' ' LEU . 14.7 p -117.09 144.04 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.423 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 18.3 mtp -129.3 162.61 27.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.672 HD11 ' HB3' ' A' ' 68' ' ' LYS . 27.3 pt -144.91 144.15 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.441 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 12.9 m-85 -128.08 165.68 19.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.72 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 38.6 mttt -89.67 168.7 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -62.22 -51.59 67.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -74.54 -39.23 62.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.886 ' CE2' HG22 ' A' ' 66' ' ' ILE . 67.5 m-85 -91.79 18.05 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.72 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.85 144.67 90.92 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.56 0.695 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.441 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.8 Cg_endo -69.77 153.11 69.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.316 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.407 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 2.8 m -90.26 165.96 13.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -56.79 -67.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -51.6 -45.19 63.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.457 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 63.3 mm-40 -59.66 -42.66 93.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.31 -52.3 63.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -54.36 -50.02 68.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -66.65 -32.42 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.457 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 7.9 m-85 -59.09 -43.91 91.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.674 ' HE2' HD11 ' A' ' 80' ' ' ILE . 7.3 mtpm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 94.2 t -34.9 -67.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -41.61 -59.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 77' ' ' GLU . 73.8 t80 -44.47 -49.54 9.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HD2' HG23 ' A' ' 80' ' ' ILE . 13.2 ttt-85 -54.95 -46.85 75.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -52.07 -55.79 18.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -51.2 -45.87 62.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.749 ' SD ' HD13 ' A' ' 81' ' ' LEU . 33.9 mmt -57.22 -41.88 80.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -58.41 -49.34 77.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -64.61 -46.57 82.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -59.79 -58.6 7.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 52' ' ' MET . 91.9 t -48.31 -62.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.465 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.7 t -44.6 -55.49 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -47.86 -43.03 28.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -64.92 -41.28 95.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.813 HG12 HD11 ' A' ' 90' ' ' LEU . 98.6 mt -54.18 -54.59 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -59.67 -41.83 91.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.44 113.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t -72.91 -58.79 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.97 -36.94 5.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -75.05 127.54 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.688 HG22 ' CE2' ' A' ' 111' ' ' PHE . 13.3 pt -113.13 -29.79 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 66' ' ' ILE . 35.4 pttt -147.76 160.71 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HB3' HD11 ' A' ' 106' ' ' ILE . 33.1 tttp -145.35 129.09 17.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -105.72 120.6 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.782 ' HB2' HG13 ' A' ' 104' ' ' VAL . 64.2 m-85 -94.62 169.14 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.402 ' O ' ' SD ' ' A' ' 73' ' ' MET . 15.2 mm-40 -112.03 138.55 21.76 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.5 Cg_endo -69.78 83.58 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.7 mpp? -77.04 -41.59 41.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -127.5 176.02 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -87.54 -34.11 18.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.0 mm -92.44 -35.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -40.9 -37.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -53.16 -55.71 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.7 t -60.78 -46.67 89.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.674 HD11 ' HE2' ' A' ' 45' ' ' LYS . 58.1 mt -52.39 -53.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.865 HD23 HG11 ' A' ' 104' ' ' VAL . 43.2 tp -56.58 -47.89 78.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -50.03 -43.69 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.88 -52.28 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.53 -37.1 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.452 HG13 ' HB2' ' A' ' 90' ' ' LEU . 73.6 t -66.47 -62.84 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -44.31 -35.51 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 75.7 t -72.06 -40.14 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -64.85 -34.16 77.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.15 34.98 2.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.813 HD11 HG12 ' A' ' 60' ' ' ILE . 85.4 mt -126.03 165.91 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.0 m -86.53 139.27 31.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 p -133.01 139.47 47.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 40.2 m-85 -156.28 127.54 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.5 p -85.72 109.27 18.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.794 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 63.5 m-85 -116.1 125.25 52.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.93 144.28 15.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.31 -43.38 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.34 166.67 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.46 -42.22 98.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -69.78 -42.2 74.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 22.6 m -89.12 113.97 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -138.18 104.73 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 3.8 p90 -95.89 165.67 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.865 HG11 HD23 ' A' ' 81' ' ' LEU . 7.7 p -113.15 131.49 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.408 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 38.9 mtp -121.58 163.46 18.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 68' ' ' LYS . 16.2 pt -143.76 144.62 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.535 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 8.9 m-85 -127.5 169.54 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.742 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 33.4 mttt -93.44 173.41 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.74 -48.13 75.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.57 -35.6 39.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.688 ' CE2' HG22 ' A' ' 66' ' ' ILE . 56.9 m-85 -94.45 18.0 12.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.89 144.66 90.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.1 Cg_endo -69.78 156.94 62.01 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 m -95.82 163.07 13.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -54.47 -67.29 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -50.96 -46.48 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 55.6 mt-10 -58.02 -42.92 86.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.9 mt -55.34 -54.09 48.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.27 -48.48 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.7 p -71.09 -24.88 62.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 4.6 m-85 -68.0 -33.74 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.866 ' HD3' HD11 ' A' ' 80' ' ' ILE . 38.2 mttm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.815 0.341 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' LYS . 92.6 t -36.08 -51.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -51.14 -54.41 25.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 65.8 t80 -56.06 -50.59 70.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -46.29 -50.24 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -56.78 -55.12 38.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 ttt85 -49.91 -46.47 51.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 29.2 mmt -59.0 -43.97 91.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.0 -46.19 71.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -67.59 -47.21 70.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -58.07 -59.42 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.6 t -48.87 -59.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 t -48.79 -59.63 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -42.62 -43.78 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 2.5 t80 -64.73 -48.47 74.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.741 HG12 HD11 ' A' ' 90' ' ' LEU . 81.7 mt -48.8 -53.77 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.77 -38.93 86.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.96 117.05 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -83.57 -48.07 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.06 -39.73 9.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -88.02 121.62 30.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.507 HG21 ' CE2' ' A' ' 111' ' ' PHE . 25.3 pt -94.13 -31.87 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.468 ' N ' HG13 ' A' ' 66' ' ' ILE . 13.3 ptpt -139.59 168.48 19.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.696 ' HB3' HD11 ' A' ' 106' ' ' ILE . 38.6 tttp -148.76 122.72 9.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -95.31 116.42 28.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.823 ' HB2' HG13 ' A' ' 104' ' ' VAL . 63.1 m-85 -85.8 168.9 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -117.8 138.54 25.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HB3' ' NH2' ' A' ' 78' ' ' ARG . 53.2 Cg_endo -69.78 80.7 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -76.68 -42.26 42.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.483 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 2.4 m120 -128.04 177.18 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -87.51 -36.04 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLU . 20.7 mm -89.1 -36.55 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.575 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 22.3 mt-10 -38.12 -35.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -53.92 -55.46 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.8 t -63.63 -48.4 77.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.866 HD11 ' HD3' ' A' ' 45' ' ' LYS . 48.1 mt -51.01 -56.58 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.863 HD23 HG11 ' A' ' 104' ' ' VAL . 31.2 tp -54.36 -43.02 70.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -52.56 -44.61 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.712 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.6 t70 -62.62 -48.81 77.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.6 t -59.5 -40.3 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.579 HG11 ' HB2' ' A' ' 92' ' ' SER . 73.4 t -67.99 -61.03 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 6.4 pt-20 -46.85 -33.15 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 83' ' ' ASP . 94.6 t -76.91 -39.86 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.623 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -59.27 -34.33 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.48 34.19 2.14 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.741 HD11 HG12 ' A' ' 60' ' ' ILE . 84.1 mt -127.24 171.05 11.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.4 m -100.3 121.18 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.579 ' HB2' HG11 ' A' ' 85' ' ' VAL . 3.0 t -115.85 153.76 30.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 37.2 m-85 -157.34 134.72 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.9 m -93.07 106.09 18.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.586 ' O ' ' CD2' ' A' ' 103' ' ' TYR . 48.7 m-85 -111.54 124.96 53.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.47 132.46 5.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -73.6 -36.64 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.14 155.29 34.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -53.41 -41.63 66.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.53 -41.97 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 22.8 m -88.02 108.63 19.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.46 ' O ' ' NE ' ' A' ' 78' ' ' ARG . 30.1 mtm180 -136.96 104.59 5.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 95' ' ' PHE . 46.7 p90 -98.26 165.71 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.863 HG11 HD23 ' A' ' 81' ' ' LEU . 7.4 p -118.93 143.57 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 42.5 mtp -126.93 159.86 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 68' ' ' LYS . 10.7 pt -137.89 147.64 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.539 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 10.6 m-85 -132.23 166.61 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.812 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 29.0 mttt -88.96 172.91 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -63.82 -52.08 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -74.68 -40.86 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.507 ' CE2' HG21 ' A' ' 66' ' ' ILE . 81.2 m-85 -90.19 17.97 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.812 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -71.08 144.83 90.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.703 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.539 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.2 Cg_endo -69.78 159.17 54.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.492 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 2.2 m -99.58 164.16 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -54.7 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -52.32 -46.39 66.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.492 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 6.3 mm-40 -57.54 -42.55 83.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.17 -51.32 68.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -55.84 -41.06 73.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 m -71.28 -40.02 71.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 23.4 m-85 -54.61 -42.99 71.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HG2' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.852 0.358 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LYS . 87.6 t -34.05 -63.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.9 -56.09 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 77' ' ' GLU . 85.4 t80 -45.93 -62.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -43.06 -46.86 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -51.88 -58.64 5.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -47.24 -51.99 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.549 ' HG3' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -51.22 -46.89 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -53.74 -47.01 71.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -48.49 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -58.12 -62.44 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.9 t -46.49 -57.37 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.8 t -45.15 -58.88 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -47.82 -44.62 28.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -63.56 -40.91 98.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.96 ' CG1' HD11 ' A' ' 90' ' ' LEU . 63.1 mt -54.01 -54.66 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -58.17 -44.59 88.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -59.23 104.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -73.63 -44.82 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.19 -39.63 5.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -87.56 131.75 34.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.455 ' HB ' ' CB ' ' A' ' 111' ' ' PHE . 7.3 pt -111.74 -24.79 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 66' ' ' ILE . 20.9 pttt -143.61 155.6 44.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -147.0 135.72 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 5.3 ttpt -106.82 131.12 54.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.634 ' HB2' HG13 ' A' ' 104' ' ' VAL . 59.9 m-85 -103.62 168.52 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -109.53 138.37 20.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.84 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.3 mtm -95.48 -42.77 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.482 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 7.4 m-20 -128.36 177.31 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -90.13 -34.23 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.8 mm -90.43 -34.94 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 48' ' ' PHE . 22.3 mt-10 -39.8 -31.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.407 ' NH2' ' HB3' ' A' ' 102' ' ' ARG . 4.7 tpp85 -58.94 -53.94 52.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.2 t -62.68 -46.52 87.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 77' ' ' GLU . 36.1 mt -54.22 -57.77 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.834 HD23 HG11 ' A' ' 104' ' ' VAL . 21.2 tp -51.81 -50.57 60.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -44.7 -55.8 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -51.91 -52.32 50.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.78 -41.17 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.422 HG13 ' HB2' ' A' ' 90' ' ' LEU . 67.5 t -60.72 -61.1 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.68 -54.87 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -56.72 -40.5 70.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.764 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -62.62 -30.52 71.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.98 30.69 5.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.96 HD11 ' CG1' ' A' ' 60' ' ' ILE . 81.2 mt -127.07 167.67 15.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.2 m -89.1 144.64 25.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.1 p -132.51 133.41 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 32.2 m-85 -150.86 131.15 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.4 m -96.84 118.95 34.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CD1' ' HB3' ' A' ' 122' ' ' ARG . 49.2 m-85 -127.84 125.13 39.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.47 138.6 9.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.13 -44.68 62.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -115.21 140.52 49.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -46.8 -46.52 20.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.12 -42.21 99.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.62 105.19 17.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.407 ' HB3' ' NH2' ' A' ' 78' ' ' ARG . 1.8 tpp85 -130.26 104.83 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 4.2 p90 -94.86 165.72 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.834 HG11 HD23 ' A' ' 81' ' ' LEU . 7.5 p -113.15 134.79 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.484 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 30.4 mtp -117.13 158.96 23.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.8 pt -140.35 147.1 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 14.7 m-85 -134.19 168.24 19.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.765 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 33.4 mttt -89.75 174.04 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -67.06 -53.72 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.39 -36.03 63.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.455 ' CB ' ' HB ' ' A' ' 66' ' ' ILE . 50.5 m-85 -94.12 18.0 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.6 143.64 90.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.3 Cg_endo -69.68 160.08 51.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -97.7 171.83 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.89 -67.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -54.23 -44.33 71.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.585 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 6.3 mm-40 -59.52 -42.17 91.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.3 mt -56.39 -53.92 51.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -54.54 -42.23 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.5 m -75.72 -17.29 59.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 7.9 m-85 -82.15 -28.15 32.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.593 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 4.6 ptp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' VAL . 8.8 mptt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' GLU . 55.6 t -34.29 -64.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' VAL . 6.3 mm-40 -34.64 -55.81 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 63.6 t80 -64.27 -48.5 75.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -48.09 -68.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -51.17 -38.66 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -59.76 -46.68 88.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.785 ' SD ' HD13 ' A' ' 81' ' ' LEU . 29.0 mmt -63.34 -41.34 98.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -55.27 -46.84 76.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -62.42 -48.28 80.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.97 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.6 t -39.88 -56.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.571 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.0 t -48.19 -57.56 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -46.91 -43.42 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.14 -40.17 95.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.772 ' CG1' HD11 ' A' ' 90' ' ' LEU . 85.9 mt -55.64 -51.94 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -60.2 -42.89 96.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' NE2' ' A' ' 65' ' ' GLN . 2.0 t70 -59.98 121.37 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.8 t -82.84 -55.73 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.73 -40.03 2.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.446 ' NE2' ' CG ' ' A' ' 62' ' ' ASP . 37.0 mt-30 -77.54 119.27 20.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.951 HG22 ' CE2' ' A' ' 111' ' ' PHE . 23.6 pt -98.44 -22.59 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -147.64 170.6 17.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.547 ' HB3' HD11 ' A' ' 106' ' ' ILE . 10.5 tptt -143.12 124.71 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -97.58 103.12 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.822 ' HB2' HG13 ' A' ' 104' ' ' VAL . 31.5 m-85 -82.71 145.78 29.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -92.28 138.54 24.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 102' ' ' ARG . 53.2 Cg_endo -69.84 89.92 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.634 2.223 . . . . 0.0 112.328 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -86.75 -41.93 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.4 ' O ' ' OE1' ' A' ' 77' ' ' GLU . 2.4 m-80 -127.73 177.12 7.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -90.84 -28.86 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 76' ' ' ILE . 42.1 mm -93.06 -14.97 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -43.71 -25.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.553 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 8.6 tpp85 -64.72 -67.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.5 t -50.43 -47.14 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.8 mt -62.21 -68.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.857 HD23 HG11 ' A' ' 104' ' ' VAL . 49.8 tp -46.17 -54.32 8.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.531 ' CD2' ' HG3' ' A' ' 78' ' ' ARG . 8.0 m-70 -45.16 -51.12 10.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 87' ' ' VAL . 5.8 t0 -53.56 -49.85 66.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.06 -31.57 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.587 HG11 ' HB3' ' A' ' 92' ' ' SER . 98.9 t -69.76 -53.33 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 87' ' ' VAL . 3.6 pt-20 -57.7 -35.05 70.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 83' ' ' ASP . 91.0 t -69.82 -39.61 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.74 -32.16 72.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.33 36.09 2.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.772 HD11 ' CG1' ' A' ' 60' ' ' ILE . 81.6 mt -126.96 169.1 13.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.6 m -93.73 136.46 33.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.587 ' HB3' HG11 ' A' ' 85' ' ' VAL . 78.5 p -125.87 143.53 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.569 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 12.1 m-85 -151.84 149.14 28.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.4 p -106.53 111.2 23.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 92.7 m-85 -117.46 125.7 51.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.51 134.83 7.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -73.53 -38.94 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -132.59 161.78 32.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -52.68 -46.99 67.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.8 -42.15 64.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 7.3 t -86.47 103.65 15.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 72' ' ' PRO . 53.0 mtm180 -139.33 125.99 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -127.05 165.57 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.857 HG11 HD23 ' A' ' 81' ' ' LEU . 14.4 p -106.07 146.05 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.0 mtp -138.21 155.23 48.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.547 HD11 ' HB3' ' A' ' 68' ' ' LYS . 7.1 pt -137.27 144.79 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.531 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 27.7 m-85 -125.79 171.61 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.776 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 30.1 mttt -93.37 171.8 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.82 -50.56 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.65 -38.6 47.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.951 ' CE2' HG22 ' A' ' 66' ' ' ILE . 41.4 m-85 -91.06 17.95 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.89 144.58 90.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.531 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.1 Cg_endo -69.76 151.77 69.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.6 m -93.79 165.59 12.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.45 -66.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -54.22 -44.58 71.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 15.5 mm-40 -59.32 -36.14 75.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.87 -50.27 69.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.43 -42.7 74.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.1 p -73.45 -40.6 64.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 10.6 m-85 -51.84 -41.29 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 46' ' ' VAL . 36.4 mttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' LYS . 92.1 t -33.76 -60.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.47 -59.78 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 58.8 t80 -51.07 -57.49 8.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -41.87 -60.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -45.34 -56.21 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.428 ' HG2' ' HE3' ' A' ' 52' ' ' MET . 63.6 ttt-85 -48.02 -58.46 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.532 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -48.05 -45.44 32.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.557 ' HG2' HG13 ' A' ' 84' ' ' VAL . 43.0 mt-10 -53.88 -43.94 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -68.53 -48.8 63.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.39 -57.08 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.688 HG13 HD12 ' A' ' 90' ' ' LEU . 70.7 t -49.74 -57.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.624 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.5 t -47.65 -58.98 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -45.58 -42.53 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 108' ' ' LYS . 2.5 t80 -65.06 -39.94 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.948 ' CG1' HD11 ' A' ' 90' ' ' LEU . 91.2 mt -56.1 -48.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -65.02 -39.4 93.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.41 105.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 m -71.61 -54.06 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -42.65 -39.31 3.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -83.77 127.23 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.815 HG22 ' CE2' ' A' ' 111' ' ' PHE . 8.2 pt -108.95 -24.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 66' ' ' ILE . 16.8 pttp -142.08 158.26 43.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HB3' HD11 ' A' ' 106' ' ' ILE . 19.1 ttmm -143.79 137.52 28.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -101.01 128.92 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.75 ' HB2' HG13 ' A' ' 104' ' ' VAL . 22.2 m-85 -109.88 115.98 30.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' O ' ' SD ' ' A' ' 73' ' ' MET . 14.6 tm0? -63.18 138.21 97.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HD2' ' CD ' ' A' ' 71' ' ' GLN . 53.5 Cg_endo -69.79 83.65 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.5 mpp? -75.86 -42.39 49.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 3.1 m120 -128.23 177.88 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -93.22 -22.53 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 78' ' ' ARG . 34.3 mm -96.27 -30.31 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.0 pt-20 -37.82 -27.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -60.8 -53.07 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 m -69.38 -44.19 72.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mt -59.89 -61.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.719 HD23 HG11 ' A' ' 104' ' ' VAL . 16.2 tp -51.92 -43.98 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 5.3 m-70 -52.25 -48.94 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.748 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.8 t70 -58.28 -45.42 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.557 HG13 ' HG2' ' A' ' 53' ' ' GLU . 92.9 t -58.74 -40.71 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.729 HG13 ' HB2' ' A' ' 90' ' ' LEU . 90.1 t -67.97 -63.29 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 6.5 pt-20 -43.29 -36.05 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 83' ' ' ASP . 98.2 t -72.09 -41.46 67.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.6 -30.73 71.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.148 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.92 37.46 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.948 HD11 ' CG1' ' A' ' 60' ' ' ILE . 84.6 mt -126.91 166.78 16.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.2 m -96.12 147.72 23.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.8 ' OG ' HG22 ' A' ' 106' ' ' ILE . 18.2 m -148.63 151.47 35.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 45.0 m-85 -154.19 167.43 29.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 p -106.61 113.69 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 28.6 m-85 -134.9 124.87 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.11 153.84 22.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -82.22 -43.41 17.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.58 139.17 51.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -44.3 -43.1 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.58 -42.27 82.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 59.6 m -99.12 110.04 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -126.61 108.74 11.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.413 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 8.5 p90 -96.2 165.62 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.75 HG13 ' HB2' ' A' ' 70' ' ' PHE . 8.7 p -116.94 134.98 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.0 mmm -117.44 162.7 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.8 HG22 ' OG ' ' A' ' 92' ' ' SER . 12.9 pt -138.06 143.07 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.483 ' CD2' ' HD3' ' A' ' 113' ' ' PRO . 4.4 m-85 -126.23 163.72 22.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.64 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 35.2 mttt -88.56 173.03 8.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -63.79 -52.56 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -75.64 -39.84 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.815 ' CE2' HG22 ' A' ' 66' ' ' ILE . 28.6 m-85 -87.59 17.92 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.71 144.46 91.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.554 0.692 . . . . 0.0 111.155 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.483 ' HD3' ' CD2' ' A' ' 107' ' ' PHE . 54.3 Cg_endo -69.75 160.01 51.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.434 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 2.4 m -94.7 161.05 14.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -54.16 -67.37 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -52.75 -46.44 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 77.8 mt-10 -57.05 -42.38 80.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 113' ' ' PRO . 30.6 mt -56.83 -51.39 69.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -54.79 -42.78 72.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -69.54 -42.45 74.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 20.2 m-85 -51.2 -47.08 62.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HG2' HD11 ' A' ' 80' ' ' ILE . 62.4 mttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.843 0.354 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.1 t -34.34 -52.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -54.16 -56.45 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 62.6 t80 -55.58 -50.57 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -47.98 -57.09 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -50.68 -54.82 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.8 ttt85 -48.17 -47.73 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.529 ' O ' HG23 ' A' ' 56' ' ' VAL . 30.9 mmt -59.53 -43.34 93.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -53.82 -47.77 70.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -61.74 -48.68 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -60.13 -60.9 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 52' ' ' MET . 90.7 t -41.82 -58.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -47.75 -61.05 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -44.04 -41.58 5.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.7 t80 -68.1 -43.45 78.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.736 HD11 ' HB1' ' A' ' 88' ' ' ALA . 71.8 mt -53.5 -53.36 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.86 -42.53 98.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.81 105.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -73.73 -44.58 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.74 -40.71 33.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.23 117.96 23.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 110.942 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.661 HG21 ' CE2' ' A' ' 111' ' ' PHE . 27.7 pt -96.58 -31.04 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.447 ' N ' HG13 ' A' ' 66' ' ' ILE . 39.4 pttt -136.3 153.38 51.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HB3' ' CG1' ' A' ' 106' ' ' ILE . 30.6 tttt -131.42 140.02 49.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -113.17 110.76 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.578 ' HB2' HG13 ' A' ' 104' ' ' VAL . 67.4 m-85 -82.48 168.99 16.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' SD ' ' A' ' 73' ' ' MET . 38.2 mt-30 -110.55 138.8 21.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.432 ' HA ' ' OE2' ' A' ' 77' ' ' GLU . 53.3 Cg_endo -69.76 92.28 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 2.2 mpp? -95.7 -43.98 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.405 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 85.0 m-20 -129.23 177.66 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -91.89 -34.09 14.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' GLU . 21.4 mm -84.72 -23.14 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 17.7 pt-20 -37.55 -34.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.479 ' HG3' ' CD2' ' A' ' 82' ' ' HIS . 2.9 tpp180 -57.12 -66.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.8 m -51.38 -51.15 57.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.489 HD11 ' HG2' ' A' ' 45' ' ' LYS . 57.5 mt -57.55 -67.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.76 HD23 HG11 ' A' ' 104' ' ' VAL . 17.7 tp -46.31 -52.29 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.479 ' CD2' ' HG3' ' A' ' 78' ' ' ARG . 5.5 m-70 -48.3 -43.89 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 87' ' ' VAL . 46.8 t0 -59.08 -48.64 80.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.35 -34.07 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.423 HG13 ' HB2' ' A' ' 90' ' ' LEU . 94.5 t -69.62 -59.45 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 1.2 pp20? -48.73 -36.26 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 83' ' ' ASP . 78.6 t -70.42 -41.88 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.736 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.11 -34.52 78.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.77 37.76 2.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.703 HD11 ' CG1' ' A' ' 60' ' ' ILE . 87.7 mt -127.15 163.08 24.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.0 m -83.81 146.21 28.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 p -135.84 148.15 48.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -161.33 167.11 26.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.431 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 96.1 p -119.63 128.85 54.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -142.98 124.09 14.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.89 138.61 9.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -76.86 -44.94 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -117.66 139.62 50.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -42.36 -48.62 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -42.27 92.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 42.5 t -91.46 106.96 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -133.15 108.74 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 4.0 p90 -107.57 155.19 20.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.76 HG11 HD23 ' A' ' 81' ' ' LEU . 11.4 p -102.46 134.45 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 68.1 mtp -119.39 164.0 16.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.475 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 7.2 pt -140.48 147.7 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -128.55 164.44 22.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -87.57 168.89 12.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -58.64 -58.91 6.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.56 -40.72 80.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.661 ' CE2' HG21 ' A' ' 66' ' ' ILE . 38.9 m-85 -84.95 18.0 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.92 140.14 88.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.05 54.81 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.286 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.481 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 3.2 m -94.99 164.47 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.71 -67.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -52.02 -46.92 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 64.3 mm-40 -56.79 -45.52 82.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.55 -49.18 68.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -55.48 -47.12 76.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.6 p -66.36 -42.11 88.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -50.07 -51.61 41.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 46' ' ' VAL . 31.3 mmmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 45' ' ' LYS . 96.7 t -33.46 -51.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -53.85 -57.32 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 76.7 t80 -49.8 -57.68 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -42.08 -51.36 4.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -53.57 -50.44 65.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -50.6 -52.41 39.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.535 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -53.95 -47.19 71.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -50.59 -47.19 58.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -64.9 -46.59 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.57 -65.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.2 t -42.99 -58.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.473 ' HA ' HD12 ' A' ' 60' ' ' ILE . 6.9 t -47.43 -54.81 10.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.26 -46.77 55.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -61.85 -38.64 88.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.908 ' CG1' HD11 ' A' ' 90' ' ' LEU . 94.0 mt -56.61 -57.38 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -56.82 -39.01 73.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.73 112.92 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' GLY . 52.0 m -70.59 -65.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' SER . . . -38.43 -38.39 0.63 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -74.27 116.84 15.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.843 HG22 ' CE2' ' A' ' 111' ' ' PHE . 22.5 pt -103.32 -27.88 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 66' ' ' ILE . 34.7 pttt -145.65 161.68 39.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HB3' HD11 ' A' ' 106' ' ' ILE . 20.2 tttm -145.57 132.69 20.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.476 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 28.3 tttt -102.99 143.9 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.574 ' HB2' HG13 ' A' ' 104' ' ' VAL . 63.8 m-85 -119.83 168.04 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -113.88 138.28 22.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.6 Cg_endo -69.77 92.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 11.4 mtm -91.1 -42.95 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -128.66 175.6 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -27.78 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' GLU . 19.5 mm -89.79 -30.05 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.5 pp20? -38.09 -32.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.434 ' NH2' ' HB2' ' A' ' 94' ' ' SER . 0.3 OUTLIER -58.21 -67.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.5 t -49.0 -46.98 44.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.6 mt -58.27 -68.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.73 HD23 HG11 ' A' ' 104' ' ' VAL . 38.9 tp -47.38 -45.8 25.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -55.57 -43.3 75.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.509 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.0 t0 -62.51 -48.18 80.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.66 -34.14 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 81' ' ' LEU . 98.9 t -71.41 -61.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 1.0 OUTLIER -46.34 -35.45 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 83' ' ' ASP . 76.7 t -73.98 -41.1 52.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.767 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -63.31 -33.35 75.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.58 37.39 2.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.908 HD11 ' CG1' ' A' ' 60' ' ' ILE . 82.9 mt -125.31 165.61 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.7 m -83.02 136.41 34.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.421 ' HB3' HG11 ' A' ' 85' ' ' VAL . 22.0 p -129.57 137.77 50.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.589 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 23.3 m-85 -144.92 156.49 44.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.434 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -112.67 107.28 15.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 54.8 m-85 -124.27 124.05 41.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.489 ' HA3' ' CB ' ' A' ' 102' ' ' ARG . . . -138.19 156.78 24.11 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -89.68 -29.59 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -125.49 133.21 52.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.58 -40.88 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -77.49 -42.33 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 56.9 m -110.12 111.75 23.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.489 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 7.7 ptm180 -138.48 133.95 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 3.5 p90 -93.38 165.69 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.73 HG11 HD23 ' A' ' 81' ' ' LEU . 13.8 p -115.18 136.27 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.476 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 20.9 mtp -123.68 163.47 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.439 HD11 ' HB3' ' A' ' 68' ' ' LYS . 11.4 pt -142.08 146.02 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.534 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 13.4 m-85 -129.51 165.06 22.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.786 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 43.2 mttt -87.48 168.51 13.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -63.48 -48.21 78.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.39 -40.45 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.843 ' CE2' HG22 ' A' ' 66' ' ' ILE . 54.3 m-85 -90.39 17.98 6.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.61 144.57 91.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.549 0.69 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.534 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.0 Cg_endo -69.71 150.35 68.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 m -89.8 166.02 13.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -55.2 -67.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -52.44 -45.21 65.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 5.3 mm-40 -59.79 -39.95 86.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.29 -49.25 77.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -57.55 -45.29 85.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.5 p -69.42 -36.42 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 12.4 m-85 -56.41 -48.02 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.857 0.36 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.1 t -38.44 -51.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -53.42 -54.93 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 90.8 t80 -54.59 -49.14 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -47.33 -55.4 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -52.63 -50.14 63.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -50.07 -49.12 52.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.518 ' O ' HG23 ' A' ' 56' ' ' VAL . 31.9 mmt -57.77 -41.84 82.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.48 -46.33 76.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -65.56 -49.96 66.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -58.95 -63.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 52' ' ' MET . 85.3 t -44.17 -61.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.627 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.3 t -45.86 -60.53 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -41.01 -45.62 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.38 -42.46 98.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.635 ' CG1' HD11 ' A' ' 90' ' ' LEU . 95.3 mt -53.02 -55.09 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -57.84 -43.75 86.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -58.37 111.54 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -76.49 -56.35 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.29 -41.31 2.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -78.46 125.82 29.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.722 HG22 ' CE2' ' A' ' 111' ' ' PHE . 11.2 pt -107.53 -30.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' N ' HG13 ' A' ' 66' ' ' ILE . 50.0 pttt -138.86 153.21 48.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.951 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -143.32 136.91 28.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -107.16 147.25 30.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.523 ' HB2' HG13 ' A' ' 104' ' ' VAL . 56.6 m-85 -119.14 169.25 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 73' ' ' MET . 21.3 mt-30 -113.56 138.94 22.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.574 0.702 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 79.93 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.7 mpp? -74.88 -42.48 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' C ' ' HE3' ' A' ' 75' ' ' LYS . 2.7 m-80 -128.36 177.85 6.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -93.22 -23.31 18.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' ARG . 47.6 mm -96.03 -29.79 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.0 pt-20 -38.52 -29.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 76' ' ' ILE . 14.0 mmm-85 -58.69 -55.78 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.3 t -65.29 -41.57 94.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 77' ' ' GLU . 21.0 mt -61.37 -63.04 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.791 HD23 HG11 ' A' ' 104' ' ' VAL . 23.4 tp -52.91 -41.27 64.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 11.6 m-70 -55.19 -45.7 75.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.7 t0 -62.03 -43.87 97.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.93 -38.85 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 90' ' ' LEU . 91.5 t -69.31 -59.98 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.9 pt-20 -46.91 -36.4 7.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 83' ' ' ASP . 95.6 t -72.6 -42.26 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.83 -31.58 72.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.81 39.18 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.705 ' HB2' HG13 ' A' ' 85' ' ' VAL . 99.1 mt -126.97 161.57 28.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.902 0.382 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.6 m -92.23 139.89 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -132.33 159.56 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.492 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 23.5 m-85 -159.55 169.43 23.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.3 t -123.0 126.41 47.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.602 ' O ' ' CE2' ' A' ' 103' ' ' TYR . 49.0 m-85 -146.68 123.92 11.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.28 153.13 22.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.58 -40.02 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -124.3 150.65 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -48.77 -41.43 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.17 -41.85 76.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 59.4 m -94.16 111.78 23.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -134.45 111.04 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 95' ' ' PHE . 5.0 p90 -97.27 162.13 13.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.791 HG11 HD23 ' A' ' 81' ' ' LEU . 11.0 p -112.92 138.85 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.077 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 54.9 mtp -125.53 161.03 28.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 pt -140.89 144.18 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.534 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 46.9 m-85 -132.78 162.27 31.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.763 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 37.3 mttt -81.2 174.07 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -67.46 -53.23 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.59 -38.92 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.722 ' CE2' HG22 ' A' ' 66' ' ' ILE . 49.4 m-85 -90.69 17.97 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.42 144.79 92.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.709 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.534 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.6 Cg_endo -69.82 158.29 57.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 m -101.67 170.85 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.41 -67.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.29 -48.94 70.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.595 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 44.8 mt-10 -55.19 -41.24 71.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.08 -55.18 38.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -53.66 -36.89 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.2 m -76.83 -33.96 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.595 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 15.0 m-85 -65.19 -44.63 87.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.593 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 1.0 ' HD2' HD11 ' A' ' 80' ' ' ILE . 22.1 mmtt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . 90.3 t -34.67 -65.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' VAL . 18.2 mt-10 -36.85 -60.9 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.622 ' CE1' ' CD ' ' A' ' 77' ' ' GLU . 86.2 t80 -51.93 -51.45 56.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -44.54 -52.09 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -56.12 -54.64 42.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -47.32 -46.67 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.642 ' O ' HG23 ' A' ' 56' ' ' VAL . 28.4 mmt -61.1 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -51.83 -47.23 64.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -58.02 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.02 -47.78 44.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 52' ' ' MET . 77.9 t -54.37 -63.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.97 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.6 t -46.77 -55.06 8.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -46.19 -45.62 16.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -62.86 -41.85 99.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.97 HD12 ' HA ' ' A' ' 57' ' ' SER . 43.2 mt -54.28 -54.26 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -59.68 -40.75 88.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.29 113.21 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.0 p -81.96 -47.17 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.36 -40.34 2.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.72 123.2 34.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.588 HG21 ' CE2' ' A' ' 111' ' ' PHE . 14.9 pt -96.75 -23.2 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -143.91 160.36 40.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.477 ' HB3' HD11 ' A' ' 106' ' ' ILE . 19.7 ttmm -139.76 122.7 16.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -98.98 113.54 25.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.866 ' HB2' HG13 ' A' ' 104' ' ' VAL . 49.0 m-85 -85.37 168.49 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -116.33 138.66 24.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.9 Cg_endo -69.78 81.43 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -78.18 -42.13 32.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.527 ' ND2' ' NZ ' ' A' ' 45' ' ' LYS . 12.7 t-20 -128.04 175.37 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -86.9 -36.03 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.5 ' N ' ' HG2' ' A' ' 75' ' ' LYS . 10.3 mm -88.9 -29.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.693 ' HA ' HD12 ' A' ' 80' ' ' ILE . 24.9 mt-10 -43.75 -28.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -60.61 -57.48 12.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 t -60.0 -45.42 92.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.0 HD11 ' HD2' ' A' ' 45' ' ' LYS . 17.7 mt -55.37 -62.54 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.772 HD23 HG11 ' A' ' 104' ' ' VAL . 25.2 tp -51.59 -44.49 62.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 30.9 m-70 -50.12 -53.96 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 87' ' ' VAL . 42.2 t0 -55.47 -45.05 76.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.2 t -58.97 -33.81 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.594 HG11 ' HB3' ' A' ' 92' ' ' SER . 83.2 t -71.32 -57.58 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 6.5 pt-20 -51.27 -30.88 19.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 83' ' ' ASP . 85.3 t -79.7 -39.41 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.419 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -62.01 -32.8 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.1 33.37 3.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.55 HD11 ' CG1' ' A' ' 60' ' ' ILE . 82.2 mt -124.35 169.77 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.477 HG21 ' HD2' ' A' ' 113' ' ' PRO . 74.7 m -89.08 130.77 35.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.594 ' HB3' HG11 ' A' ' 85' ' ' VAL . 45.2 p -117.35 141.17 48.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.596 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 24.7 m-85 -155.07 125.21 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.4 ' OG ' ' NE2' ' A' ' 82' ' ' HIS . 63.2 m -91.31 114.9 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.54 ' O ' ' CZ ' ' A' ' 103' ' ' TYR . 44.9 m-85 -119.28 125.13 48.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.09 130.15 4.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.3 -29.21 61.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.26 177.98 6.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.06 -46.5 9.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -61.34 -41.98 97.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 77.3 m -106.35 115.86 30.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -130.66 105.18 7.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 36.4 p90 -90.07 165.38 14.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.866 HG13 ' HB2' ' A' ' 70' ' ' PHE . 7.4 p -118.81 136.47 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 53.0 mtp -123.86 158.91 30.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 68' ' ' LYS . 8.7 pt -141.24 147.86 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.516 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 10.8 m-85 -129.66 162.35 28.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.669 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 44.8 mttt -81.55 170.94 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -60.48 -53.57 55.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.48 -40.11 62.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' A' ' 66' ' ' ILE . 62.0 m-85 -88.26 17.75 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.97 144.74 90.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.516 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.9 Cg_endo -69.7 155.44 66.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.385 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 1.9 m -100.53 165.94 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -53.42 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.27 -43.48 67.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.599 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 16.5 mm-40 -61.25 -36.66 80.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.596 HD11 ' CZ ' ' A' ' 93' ' ' PHE . 24.0 mt -62.41 -48.96 77.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -58.96 -40.36 84.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -72.67 -40.99 65.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 18.2 m-85 -53.78 -44.84 70.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' VAL . 44.0 mttt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.817 0.341 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.0 t -33.92 -58.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -54.03 -57.18 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 55.2 t80 -49.49 -58.01 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -43.45 -56.72 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -46.51 -54.48 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -50.38 -57.29 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.597 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -48.13 -43.74 31.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -56.1 -47.96 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -67.02 -47.99 69.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.4 -55.09 37.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 52' ' ' MET . 89.9 t -51.37 -61.05 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.502 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.9 t -46.5 -61.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -43.44 -41.12 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' A' ' 68' ' ' LYS . 3.8 t80 -68.18 -44.38 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.879 HG12 HD11 ' A' ' 90' ' ' LEU . 84.7 mt -53.93 -53.66 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -60.14 -44.32 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.46 111.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.1 p -77.4 -27.98 52.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.69 -34.26 86.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -86.57 120.49 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.94 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 1.005 HG22 ' CE2' ' A' ' 111' ' ' PHE . 11.9 pt -101.28 -27.87 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 66' ' ' ILE . 18.6 pttm -141.98 146.75 35.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.585 ' HB3' HD11 ' A' ' 106' ' ' ILE . 43.3 tttm -128.13 118.57 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -95.71 134.8 38.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.672 ' HB2' HG13 ' A' ' 104' ' ' VAL . 90.2 m-85 -116.75 140.05 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 38.5 tt0 -84.19 138.51 39.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.449 ' HD2' ' CG ' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.76 81.5 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.1 mtm -75.4 -43.64 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.497 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 21.7 t30 -129.1 177.16 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -87.08 -36.87 17.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 77' ' ' GLU . 28.4 mm -88.62 -39.15 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.497 ' OE2' ' CB ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -36.82 -39.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.434 ' CG ' ' HB ' ' A' ' 104' ' ' VAL . 10.1 ttm180 -56.41 -57.83 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -53.5 -52.97 57.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.2 mt -50.66 -47.3 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.769 HD23 HG11 ' A' ' 104' ' ' VAL . 26.2 tp -58.69 -41.65 86.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -55.8 -47.78 76.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 87' ' ' VAL . 29.9 t70 -58.73 -47.23 85.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.84 -37.34 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 81' ' ' LEU . 57.5 t -69.27 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 4.9 pt-20 -46.2 -33.36 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 83' ' ' ASP . 90.4 t -74.85 -40.03 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.579 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -64.81 -33.06 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.38 36.92 2.19 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.879 HD11 HG12 ' A' ' 60' ' ' ILE . 69.4 mt -127.07 167.59 15.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 85.7 m -90.59 125.88 35.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 p -112.99 151.98 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 18.5 m-85 -161.73 162.04 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.439 ' O ' ' NH1' ' A' ' 122' ' ' ARG . 45.8 m -123.45 124.44 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.577 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 36.9 m-85 -134.79 125.1 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.05 147.88 19.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -79.31 -44.69 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 101' ' ' CYS . 7.7 t0 -116.66 142.38 46.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -44.25 -47.98 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -65.58 -42.46 91.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' ASP . 9.6 t -95.51 105.92 17.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -130.68 109.93 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 20.8 p90 -94.41 165.82 12.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.769 HG11 HD23 ' A' ' 81' ' ' LEU . 12.3 p -117.79 135.16 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 70.2 mtp -125.93 161.85 26.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' A' ' 68' ' ' LYS . 11.5 pt -140.18 149.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.531 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 5.9 m-85 -129.96 167.92 17.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.632 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 44.1 mttt -90.81 165.27 13.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -58.08 -43.36 86.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.593 ' OE1' ' CZ ' ' A' ' 111' ' ' PHE . 0.2 OUTLIER -83.28 -39.41 20.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 1.005 ' CE2' HG22 ' A' ' 66' ' ' ILE . 37.6 m-85 -90.44 17.98 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.42 145.08 92.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.531 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.7 Cg_endo -69.81 154.92 66.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -89.2 164.44 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -67.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -52.11 -44.25 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.492 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 70.6 mm-40 -60.56 -40.28 91.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.47 -53.78 54.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -52.93 -50.0 64.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.9 m -63.67 -41.02 98.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.492 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 12.4 m-85 -53.52 -39.63 64.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 94' ' ' SER . 68.7 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' VAL . 4.0 mptt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.349 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 91.1 t -35.12 -67.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -42.4 -57.79 2.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' HD2' HG21 ' A' ' 80' ' ' ILE . 33.5 t80 -48.76 -62.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.775 ' HD3' HG23 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -36.02 -56.15 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -50.69 -52.46 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -56.78 -46.83 81.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.565 ' O ' HG23 ' A' ' 56' ' ' VAL . 27.3 mmt -62.11 -39.73 93.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.622 ' OE1' HG13 ' A' ' 84' ' ' VAL . 13.3 mm-40 -64.24 -54.49 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -56.72 -44.98 82.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.58 -59.77 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 52' ' ' MET . 79.7 t -45.43 -59.26 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -43.53 -56.0 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -48.74 -41.71 32.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.3 t80 -68.76 -43.09 76.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.759 ' CG1' HD11 ' A' ' 90' ' ' LEU . 84.7 mt -55.28 -52.67 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -59.74 -45.51 92.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.81 106.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.6 p -76.34 -23.24 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.35 -36.71 93.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -90.66 119.16 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.754 HG22 ' CE2' ' A' ' 111' ' ' PHE . 23.4 pt -95.22 -27.95 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.417 ' N ' HG13 ' A' ' 66' ' ' ILE . 12.7 ptpt -143.56 161.66 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.478 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 26.4 ttpt -149.69 140.79 22.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HE3' ' CD2' ' A' ' 103' ' ' TYR . 73.0 tttt -106.51 137.61 44.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.701 ' HB2' HG13 ' A' ' 104' ' ' VAL . 57.6 m-85 -114.66 118.39 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -63.13 139.03 97.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 79.98 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 21.3 mtm -76.75 -42.36 41.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -128.06 177.57 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -93.08 -29.92 15.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.3 mm -95.8 -24.31 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.9 pt-20 -42.61 -27.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -64.88 -55.29 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.3 t -57.6 -41.92 82.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.775 HG23 ' HD3' ' A' ' 49' ' ' ARG . 41.8 mt -63.28 -56.51 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.707 HD23 HG11 ' A' ' 104' ' ' VAL . 38.6 tp -56.5 -42.89 79.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -53.23 -54.54 34.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 87' ' ' VAL . 19.6 t70 -54.42 -44.05 72.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.622 HG13 ' OE1' ' A' ' 53' ' ' GLU . 87.2 t -60.13 -38.52 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.694 HG13 ' HB2' ' A' ' 90' ' ' LEU . 74.1 t -69.6 -60.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.7 pt-20 -45.8 -35.26 4.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 83' ' ' ASP . 95.0 t -74.52 -38.97 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.683 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.08 -31.91 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.27 35.01 2.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.759 HD11 ' CG1' ' A' ' 60' ' ' ILE . 93.8 mt -127.02 168.09 15.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.0 m -100.65 136.51 40.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 1.1 t -127.96 159.0 36.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 46.0 m-85 -163.01 160.56 24.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -115.17 119.86 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.599 ' O ' ' CE2' ' A' ' 103' ' ' TYR . 31.0 m-85 -136.45 123.71 21.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.26 153.56 22.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -76.39 -35.38 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -125.77 137.17 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -42.76 -37.18 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -67.83 -42.25 81.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 86.3 m -102.46 117.85 35.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -141.94 108.91 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 95' ' ' PHE . 21.4 p90 -90.03 165.93 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.707 HG11 HD23 ' A' ' 81' ' ' LEU . 7.4 p -115.3 112.01 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.2 mmm -97.36 163.16 13.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.447 HG22 ' OG ' ' A' ' 92' ' ' SER . 5.6 pt -143.73 137.57 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.532 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 9.4 m-85 -121.66 166.48 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.683 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 30.7 mttt -87.78 173.85 8.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -63.47 -49.08 75.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -79.22 -38.66 35.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.754 ' CE2' HG22 ' A' ' 66' ' ' ILE . 63.3 m-85 -89.47 17.94 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.82 144.63 90.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 0.0 111.153 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.532 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.5 Cg_endo -69.77 152.1 69.19 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.719 2.28 . . . . 0.0 112.297 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.6 m -92.83 166.36 12.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -55.78 -67.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -52.89 -41.66 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 19.8 mm-40 -63.29 -38.84 92.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.64 -48.69 80.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.79 -43.33 94.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.8 p -68.91 -39.22 79.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.539 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 17.6 m-85 -56.34 -44.7 80.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.457 ' HG2' HD11 ' A' ' 80' ' ' ILE . 3.4 mptt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 t -44.71 -68.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -45.49 -47.02 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -56.17 -51.68 67.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -48.46 -53.1 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -51.86 -49.87 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -55.48 -43.11 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.704 ' O ' HG23 ' A' ' 56' ' ' VAL . 32.6 mmt -63.18 -44.86 94.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HG2' HG13 ' A' ' 84' ' ' VAL . 20.5 mt-10 -53.95 -45.39 71.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.489 ' C ' ' CD ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -63.52 -58.24 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -49.3 -49.46 43.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 52' ' ' MET . 87.4 t -55.65 -61.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.802 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.7 t -44.41 -56.82 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -46.68 -46.53 20.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.8 t80 -64.3 -36.97 85.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 57' ' ' SER . 94.1 mt -56.06 -56.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -58.54 -44.63 89.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.99 120.48 6.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.4 p -87.83 -48.17 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.42 -39.7 4.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -86.9 131.58 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 1.087 HG22 ' CE2' ' A' ' 111' ' ' PHE . 11.9 pt -106.34 -22.95 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -147.07 161.99 39.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HB3' HD11 ' A' ' 106' ' ' ILE . 63.4 tttt -136.22 129.45 31.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -103.61 121.28 42.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.739 ' HB2' HG13 ' A' ' 104' ' ' VAL . 48.6 m-85 -100.82 158.23 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -100.01 137.95 20.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.727 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 80.73 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.1 mtm -83.01 -42.84 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -128.59 158.16 39.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -76.92 -33.96 57.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.0 mm -91.12 -15.81 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.96 -37.31 63.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.593 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 4.9 mtm105 -59.98 -44.48 94.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -63.58 -55.46 23.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.457 HD11 ' HG2' ' A' ' 45' ' ' LYS . 52.8 mt -54.39 -55.5 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 85' ' ' VAL . 17.2 tp -59.08 -37.83 78.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 9.2 m-70 -55.55 -44.84 77.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.2 t70 -66.88 -42.43 85.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.525 HG13 ' HG2' ' A' ' 53' ' ' GLU . 98.4 t -58.91 -36.4 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 81' ' ' LEU . 93.3 t -72.59 -62.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -46.94 -33.98 5.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 83' ' ' ASP . 76.5 t -73.58 -44.26 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -59.57 -32.58 70.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.14 37.2 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.733 HD11 HG12 ' A' ' 60' ' ' ILE . 89.7 mt -127.01 170.89 11.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.2 m -91.8 140.03 30.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.5 p -130.19 142.62 50.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -157.45 135.24 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.2 p -93.1 113.62 25.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.593 ' O ' ' CE1' ' A' ' 103' ' ' TYR . 70.6 m-85 -121.59 124.04 43.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.12 152.84 22.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -85.38 -38.06 19.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.75 137.29 53.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 99' ' ' ASP . 5.9 t0 -45.06 -42.8 8.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -66.45 -42.25 87.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 11.1 t -110.01 107.93 17.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.407 ' CD ' HH21 ' A' ' 78' ' ' ARG . 10.5 ptt180 -132.06 120.81 22.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 25.1 p90 -96.29 165.52 12.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.739 HG13 ' HB2' ' A' ' 70' ' ' PHE . 4.3 p -110.6 138.54 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.6 mtp -128.92 162.01 28.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 68' ' ' LYS . 19.4 pt -140.54 143.38 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.75 162.37 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 39.3 mttt -82.87 174.11 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -66.33 -49.82 65.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.94 -40.4 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 1.087 ' CE2' HG22 ' A' ' 66' ' ' ILE . 58.0 m-85 -86.37 18.02 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.43 144.71 92.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 111.079 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.456 ' CG ' HD21 ' A' ' 118' ' ' LEU . 53.9 Cg_endo -69.77 158.71 56.01 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 m -91.21 161.54 15.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.86 -66.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -52.09 -47.99 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.47 -43.42 79.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.456 HD21 ' CG ' ' A' ' 113' ' ' PRO . 29.4 mt -54.91 -52.05 64.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -53.46 -48.61 68.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.7 m -67.58 -34.35 76.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -56.19 -45.36 79.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' VAL . 42.8 mttp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' LYS . 71.9 t -36.05 -68.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -45.03 -62.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 92.0 t80 -43.12 -55.34 3.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -44.68 -58.47 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -46.05 -52.01 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -50.41 -57.2 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -50.74 -46.82 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -52.27 -41.68 63.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -69.75 -47.52 62.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.96 -54.74 43.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.5 t -52.92 -59.56 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.626 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.9 t -43.38 -55.7 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -49.17 -44.61 42.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.525 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -65.86 -39.48 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.838 HG12 HD11 ' A' ' 90' ' ' LEU . 85.1 mt -54.49 -61.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -55.84 -46.47 78.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -59.88 116.12 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.2 m -76.86 -49.82 14.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.6 -40.31 2.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -81.47 116.41 21.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.607 HG22 ' CE2' ' A' ' 111' ' ' PHE . 12.0 pt -99.99 -17.73 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' HD2' ' CE ' ' A' ' 105' ' ' MET . 20.6 pttp -153.95 157.38 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HB3' HD11 ' A' ' 106' ' ' ILE . 41.7 tttt -136.14 116.08 13.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.5 ' HE2' ' CG ' ' A' ' 103' ' ' TYR . 9.8 tmtt? -95.84 115.5 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.62 ' HB2' HG13 ' A' ' 104' ' ' VAL . 87.7 m-85 -93.13 147.91 22.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -85.32 138.39 36.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.57 0.7 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 80.2 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.5 mtm -83.38 -42.61 16.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -128.38 156.15 43.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -27.96 58.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.2 mm -95.71 -14.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -56.84 -36.03 69.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.606 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 4.5 mtm105 -60.3 -44.03 95.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -63.7 -57.47 9.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.8 mt -52.98 -60.12 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.821 HD23 HG11 ' A' ' 104' ' ' VAL . 22.3 tp -52.4 -42.02 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 8.9 m-70 -51.85 -59.27 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.4 t70 -50.46 -45.19 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.0 t -58.14 -37.46 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 81' ' ' LEU . 86.9 t -65.88 -38.7 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.23 -49.33 64.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 83' ' ' ASP . 51.5 t -57.22 -39.87 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.801 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.01 -34.91 79.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.88 37.19 2.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.838 HD11 HG12 ' A' ' 60' ' ' ILE . 96.2 mt -126.51 160.47 30.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -77.61 145.12 36.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.534 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -124.73 153.99 41.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 92' ' ' SER . 32.2 m-85 -168.38 162.34 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.95 123.63 22.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 20.2 m-85 -133.14 128.31 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.09 153.62 22.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -86.39 -28.05 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -124.15 129.63 51.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -43.4 -34.38 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.51 -42.2 53.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 41.5 t -103.33 117.22 34.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -140.54 117.57 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.5 ' CG ' ' HE2' ' A' ' 69' ' ' LYS . 4.1 p90 -90.02 165.11 14.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.821 HG11 HD23 ' A' ' 81' ' ' LEU . 10.8 p -111.04 122.76 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.5 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 45.2 mtp -115.91 146.18 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 68' ' ' LYS . 13.1 pt -124.15 146.35 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.14 166.45 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.654 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 32.5 mttt -88.93 174.24 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -68.64 -46.82 68.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.05 -40.24 28.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.607 ' CE2' HG22 ' A' ' 66' ' ' ILE . 45.6 m-85 -87.49 18.01 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.3 144.94 92.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.443 ' HG2' HD21 ' A' ' 118' ' ' LEU . 54.0 Cg_endo -69.73 160.04 51.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -95.41 164.05 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.51 -66.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.5 -44.47 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 56.7 mm-40 -60.55 -36.44 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.443 HD21 ' HG2' ' A' ' 113' ' ' PRO . 31.4 mt -62.81 -46.93 85.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -59.24 -43.2 92.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.3 m -71.36 -41.79 69.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 14.3 m-85 -51.42 -47.9 62.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mtp-105 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.496 ' HD2' HD11 ' A' ' 80' ' ' ILE . 35.4 mmtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.843 0.354 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.463 ' C ' ' O ' ' A' ' 45' ' ' LYS . 86.3 t -33.04 -65.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -43.54 -58.75 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 77' ' ' GLU . 75.2 t80 -45.55 -55.88 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -47.21 -46.01 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -55.59 26.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -48.68 -54.51 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.447 ' HE3' ' N ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -50.03 -48.35 52.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.79 -48.51 59.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -65.52 -45.58 82.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -61.51 -65.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.2 t -42.39 -56.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 t -46.65 -55.92 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -48.15 -43.21 31.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.5 t80 -65.96 -42.62 89.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.797 HD11 ' HB1' ' A' ' 88' ' ' ALA . 95.9 mt -56.13 -56.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -56.15 -45.78 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.452 ' OD1' ' NE2' ' A' ' 65' ' ' GLN . 3.4 t0 -61.01 112.4 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.7 t -69.97 -49.07 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.86 -39.29 11.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.452 ' NE2' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -72.91 120.26 18.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.902 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 1.104 HG22 ' CE2' ' A' ' 111' ' ' PHE . 7.6 pt -106.0 -28.26 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 66' ' ' ILE . 11.0 ptpt -151.12 160.35 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.612 ' HB3' HD11 ' A' ' 106' ' ' ILE . 41.4 tttp -145.62 129.23 17.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -112.75 108.42 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -82.37 169.12 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -103.17 139.76 20.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.7 mtm -95.28 -44.65 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -130.11 177.2 7.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -90.22 -35.72 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.7 mm -85.05 -37.57 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.652 ' HA ' HD12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -40.61 -33.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.499 ' CD ' ' HB ' ' A' ' 104' ' ' VAL . 12.4 mmp_? -60.36 -64.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 t -47.16 -45.93 23.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 77' ' ' GLU . 10.6 mt -59.97 -56.61 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.837 HD23 HG11 ' A' ' 104' ' ' VAL . 24.3 tp -52.12 -42.21 63.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -54.96 -53.39 56.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 87' ' ' VAL . 5.6 t0 -53.74 -45.54 70.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.3 t -56.69 -38.5 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.714 HG13 ' HB2' ' A' ' 90' ' ' LEU . 95.8 t -68.83 -65.56 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.9 pt-20 -41.17 -35.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 83' ' ' ASP . 90.9 t -73.66 -41.01 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.797 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -64.29 -34.43 78.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.03 35.36 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.714 ' HB2' HG13 ' A' ' 85' ' ' VAL . 58.7 mt -126.93 170.01 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.7 m -95.59 120.47 35.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.1 p -108.82 146.23 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.579 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 14.4 m-85 -153.57 168.39 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.8 p -125.27 109.68 13.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.596 ' CE1' ' HG2' ' A' ' 122' ' ' ARG . 95.1 m-85 -122.91 124.07 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.99 142.83 13.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -73.36 -41.78 63.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -116.26 165.89 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.94 -42.84 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -69.97 -42.14 73.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 10.5 t -96.38 115.76 27.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 61.3 mtm-85 -136.2 104.89 5.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 23.6 p90 -89.78 166.21 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.837 HG11 HD23 ' A' ' 81' ' ' LEU . 7.4 p -115.34 146.24 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 60.9 mtp -131.56 151.27 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.612 HD11 ' HB3' ' A' ' 68' ' ' LYS . 23.3 pt -131.88 144.61 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.526 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 8.8 m-85 -131.36 157.41 43.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 47.8 mttt -84.16 172.93 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -55.65 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -72.97 -40.48 65.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 1.104 ' CE2' HG22 ' A' ' 66' ' ' ILE . 44.4 m-85 -86.45 18.05 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.34 144.56 92.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.526 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.9 Cg_endo -69.8 159.81 52.02 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 13.8 m -95.27 162.31 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -54.64 -67.5 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -52.13 -47.67 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.478 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 5.7 mm-40 -56.54 -42.55 78.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.0 mt -56.1 -50.07 72.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -57.44 -39.5 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.3 t -69.9 -45.7 67.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -52.9 -45.84 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.596 ' HG2' ' CE1' ' A' ' 95' ' ' PHE . 38.4 mtt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.946 ' NZ ' HG21 ' A' ' 76' ' ' ILE . 12.5 mtpp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.823 0.344 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.3 t -41.05 -65.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -41.28 -50.51 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.618 ' HD2' HG21 ' A' ' 80' ' ' ILE . 88.3 t80 -57.95 -43.43 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -52.21 -51.36 58.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -57.02 -49.55 75.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -49.16 -46.96 46.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.405 ' HB2' HG21 ' A' ' 84' ' ' VAL . 25.1 mmt -60.84 -41.65 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -53.86 -47.73 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -65.05 -45.75 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -60.37 -62.18 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.419 ' CG1' HD12 ' A' ' 90' ' ' LEU . 70.1 t -45.86 -56.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.541 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.6 t -45.23 -53.34 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -49.92 -45.33 50.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 2.7 t80 -62.82 -38.83 92.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.025 ' CG1' HD11 ' A' ' 90' ' ' LEU . 81.1 mt -56.11 -53.33 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.29 -42.01 90.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -60.55 115.33 3.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -72.81 -60.01 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.29 -38.0 1.8 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -74.28 123.11 23.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.48 HG13 ' N ' ' A' ' 67' ' ' LYS . 13.6 pt -117.96 -29.4 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.48 ' N ' HG13 ' A' ' 66' ' ' ILE . 43.2 pttt -156.77 144.56 19.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 69' ' ' LYS . 29.9 tttp -153.17 147.18 25.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.488 ' CB ' ' HG2' ' A' ' 105' ' ' MET . 8.3 pttm -114.22 129.03 56.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.48 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 57.1 m-85 -89.98 137.67 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.411 ' O ' ' SD ' ' A' ' 73' ' ' MET . 52.6 mm-40 -63.64 139.68 97.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.489 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -88.15 -44.85 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.489 ' ND2' ' HB2' ' A' ' 73' ' ' MET . 1.7 m-80 -130.46 172.42 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -80.7 -27.18 37.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.946 HG21 ' NZ ' ' A' ' 45' ' ' LYS . 40.9 mm -95.15 -29.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 1.6 pp20? -33.68 -38.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.479 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 32.1 ttp85 -60.11 -54.11 49.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' ILE . 9.6 m -58.89 -52.3 66.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.618 HG21 ' HD2' ' A' ' 48' ' ' PHE . 31.0 mt -50.91 -62.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.797 HD23 HG11 ' A' ' 104' ' ' VAL . 46.3 tp -51.49 -45.65 62.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 21.2 m-70 -48.62 -43.45 36.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.654 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.9 t0 -67.67 -42.41 82.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.405 HG21 ' HB2' ' A' ' 52' ' ' MET . 78.6 t -62.14 -40.69 88.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.17 -60.64 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.8 pt-20 -47.23 -37.95 11.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 83' ' ' ASP . 85.1 t -72.4 -41.03 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.2 -31.59 72.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.49 34.73 3.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.53 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.025 HD11 ' CG1' ' A' ' 60' ' ' ILE . 87.1 mt -126.95 166.08 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.423 ' CG2' ' CE2' ' A' ' 93' ' ' PHE . 22.0 m -83.36 131.56 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 p -118.21 146.8 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.512 ' CE2' ' HG2' ' A' ' 113' ' ' PRO . 37.3 m-85 -160.23 167.76 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.7 m -132.66 116.06 16.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 93' ' ' PHE . 88.9 m-85 -125.81 124.89 41.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.08 136.36 8.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.51 -45.26 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -117.65 162.43 18.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.8 -40.29 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 32.4 t -90.63 109.77 20.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -132.14 105.74 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 9.1 p90 -108.11 151.94 25.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.797 HG11 HD23 ' A' ' 81' ' ' LEU . 13.9 p -92.02 156.41 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.488 ' HG2' ' CB ' ' A' ' 69' ' ' LYS . 10.7 mtp -140.58 160.73 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.8 pt -144.7 138.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.23 172.26 8.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.588 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 37.0 mttt -92.32 173.02 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.41 -47.49 76.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.21 -39.62 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -87.22 17.98 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.16 144.15 92.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.512 ' HG2' ' CE2' ' A' ' 93' ' ' PHE . 53.8 Cg_endo -69.75 159.81 52.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.302 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 m -96.34 164.53 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -55.22 -67.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.28 -46.16 69.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 76.3 mm-40 -57.8 -40.66 80.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.52 -50.6 73.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -55.34 -43.29 74.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.6 m -70.59 -40.03 73.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 15.0 m-85 -52.81 -50.22 64.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' VAL . 23.6 mmtm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' LYS . 85.2 t -33.7 -59.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' VAL . 73.1 mt-10 -37.9 -59.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 88.0 t80 -51.78 -52.4 49.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -40.85 -54.86 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -57.44 -52.23 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -51.56 -40.02 58.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.602 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 34.5 mmt -67.24 -43.43 81.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HG2' HG13 ' A' ' 84' ' ' VAL . 57.1 mt-10 -54.27 -41.65 69.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -67.65 -48.48 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.48 -57.84 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 52' ' ' MET . 96.9 t -47.97 -60.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.7 t -47.27 -58.32 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -44.44 -44.0 8.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -65.56 -44.62 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.873 HG12 HD11 ' A' ' 90' ' ' LEU . 85.5 mt -53.73 -59.33 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -56.83 -43.06 80.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.39 110.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -63.61 -54.46 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.56 -39.63 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -73.14 121.98 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 67' ' ' LYS . 8.0 pt -114.98 -26.55 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 66' ' ' ILE . 43.9 pttt -154.14 148.6 26.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.732 ' HB3' HD11 ' A' ' 106' ' ' ILE . 46.7 tttm -139.39 143.89 37.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -123.42 121.2 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.552 ' HB2' HG13 ' A' ' 104' ' ' VAL . 87.4 m-85 -91.15 169.23 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.416 ' O ' ' SD ' ' A' ' 73' ' ' MET . 11.0 mm100 -105.18 138.77 19.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.1 Cg_endo -69.81 82.73 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.416 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 2.5 mpp? -77.03 -45.14 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.51 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 3.4 m120 -130.7 177.82 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -91.1 -29.15 17.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.555 HG22 HD11 ' A' ' 80' ' ' ILE . 33.2 mm -87.16 -43.73 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.879 ' HA ' HD12 ' A' ' 80' ' ' ILE . 5.9 mm-40 -39.83 -31.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.496 ' NH2' ' C ' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -55.77 -61.22 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.6 t -56.95 -42.67 80.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.879 HD12 ' HA ' ' A' ' 77' ' ' GLU . 16.8 mt -57.56 -59.97 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.871 HD23 HG11 ' A' ' 104' ' ' VAL . 36.5 tp -51.39 -43.26 61.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.426 ' NE2' ' HD2' ' A' ' 78' ' ' ARG . 3.2 m-70 -55.66 -42.98 75.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.74 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.4 t70 -61.99 -45.39 93.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.428 HG13 ' HG2' ' A' ' 53' ' ' GLU . 88.9 t -63.16 -35.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 81' ' ' LEU . 69.5 t -70.46 -56.66 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -51.85 -34.55 41.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 83' ' ' ASP . 86.6 t -71.47 -43.19 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.89 -33.59 75.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.55 37.49 1.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.873 HD11 HG12 ' A' ' 60' ' ' ILE . 84.5 mt -126.74 163.82 22.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -86.46 145.69 26.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.6 p -139.01 141.38 38.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 35.9 m-85 -151.38 153.79 35.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.7 p -111.62 110.76 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 43.1 m-85 -126.99 123.9 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.37 166.55 25.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -82.23 -37.92 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -129.53 153.88 47.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -46.13 -50.44 15.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -65.01 -42.19 94.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.42 104.81 17.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.411 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 43.5 mtp180 -138.06 116.2 11.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.552 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 4.0 p90 -101.79 165.3 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.871 HG11 HD23 ' A' ' 81' ' ' LEU . 11.9 p -109.21 144.22 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.6 mtp -130.74 163.78 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.732 HD11 ' HB3' ' A' ' 68' ' ' LYS . 17.9 pt -142.93 146.98 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.461 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 18.4 m-85 -135.25 164.79 26.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 34.2 mttt -89.25 174.26 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -63.46 -58.13 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -72.1 -40.49 68.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.407 ' CG ' ' HB ' ' A' ' 66' ' ' ILE . 25.7 m-85 -84.93 17.95 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -69.75 143.71 92.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.572 0.701 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.461 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.8 Cg_endo -69.82 159.91 51.62 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 m -95.93 166.39 11.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -56.57 -65.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -52.69 -49.26 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 5.1 mm-40 -56.49 -44.98 81.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.3 mt -52.59 -49.11 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -63.45 -38.46 91.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.1 m -74.12 -25.55 59.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 15.4 m-85 -73.45 -47.63 40.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.545 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' VAL . 16.6 mttm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' LYS . 70.4 t -34.68 -66.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -45.64 -55.68 6.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 68.1 t80 -52.15 -60.81 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 -40.45 -48.64 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -55.36 -54.44 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -49.43 -51.62 34.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.591 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -51.79 -46.54 64.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -55.74 -41.49 74.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -50.22 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.42 -54.71 42.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 52' ' ' MET . 98.4 t -54.97 -61.14 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.739 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.8 t -44.32 -58.1 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -46.25 -44.36 16.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.0 -43.15 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' A' ' 57' ' ' SER . 61.1 mt -53.43 -59.52 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -53.7 -42.37 67.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.92 121.98 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 t -83.68 -61.84 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -39.18 -39.68 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -82.48 118.7 23.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.484 HG22 ' CE2' ' A' ' 111' ' ' PHE . 25.1 pt -100.15 -29.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 66' ' ' ILE . 50.7 pttt -143.07 153.8 43.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HB3' HD11 ' A' ' 106' ' ' ILE . 42.2 tttm -134.56 139.52 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.485 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 1.4 ttpm? -108.04 125.78 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.815 ' HB2' HG13 ' A' ' 104' ' ' VAL . 42.7 m-85 -96.34 161.72 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.447 ' NE2' ' HD2' ' A' ' 72' ' ' PRO . 14.9 tm0? -107.67 136.21 19.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HD2' ' NE2' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.79 83.28 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.6 mtm -82.7 -42.42 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -128.24 177.79 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -91.29 -32.2 15.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.0 mm -91.66 -30.19 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.6 pt-20 -39.64 -30.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.431 ' N ' ' HG3' ' A' ' 77' ' ' GLU . 37.9 ttp85 -64.27 -57.2 10.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -54.71 -47.91 73.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.1 mt -59.77 -58.06 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.675 HD23 HG11 ' A' ' 104' ' ' VAL . 20.3 tp -51.89 -43.63 63.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -54.96 -47.06 75.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.678 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.3 t0 -57.48 -47.17 82.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.1 t -60.71 -36.48 71.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.55 HG13 ' HB2' ' A' ' 90' ' ' LEU . 84.7 t -69.57 -57.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 10.2 pt-20 -49.58 -34.11 16.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 83' ' ' ASP . 84.2 t -75.01 -41.78 45.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.63 75.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.09 40.34 1.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.609 HD11 ' CG1' ' A' ' 60' ' ' ILE . 91.9 mt -126.86 169.68 13.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.8 m -92.96 134.26 35.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 92.8 p -123.18 127.77 49.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 29.5 m-85 -142.84 125.54 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -86.41 112.41 21.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 57.7 m-85 -118.99 124.41 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.49 141.66 12.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -76.66 -36.31 57.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.443 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 10.7 p-10 -130.97 154.98 47.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -41.2 93.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.93 -42.61 94.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.3 t -110.32 113.74 26.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpt85 -128.33 104.69 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 20.1 p90 -93.93 160.33 14.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.815 HG13 ' HB2' ' A' ' 70' ' ' PHE . 8.8 p -110.66 141.94 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.485 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 47.2 mtp -127.05 164.0 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 68' ' ' LYS . 7.7 pt -141.95 142.33 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -127.1 157.52 39.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 40.9 mttt -79.09 174.3 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -58.4 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -69.34 -36.77 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.484 ' CE2' HG22 ' A' ' 66' ' ' ILE . 51.0 m-85 -91.46 17.97 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -69.6 144.81 94.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 111.067 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.428 ' HG2' HD21 ' A' ' 118' ' ' LEU . 53.8 Cg_endo -69.76 155.9 64.75 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 m -89.69 165.44 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -67.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.7 -46.99 59.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 52.7 mt-10 -58.55 -45.06 89.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.428 HD21 ' HG2' ' A' ' 113' ' ' PRO . 19.4 mt -51.91 -50.8 60.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.58 -57.36 12.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 p -58.63 -34.11 70.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 6.7 m-85 -56.75 -48.06 78.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.943 ' HD2' HD11 ' A' ' 80' ' ' ILE . 21.6 mmtm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' LYS . 96.4 t -35.12 -66.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' VAL . 40.3 mt-10 -36.09 -58.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 77' ' ' GLU . 94.4 t80 -54.81 -43.7 73.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -48.89 -51.41 30.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -59.88 -48.24 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -53.97 -40.37 66.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.649 ' SD ' HD13 ' A' ' 81' ' ' LEU . 27.5 mmt -67.6 -37.94 83.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.13 -42.02 89.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -67.68 -48.35 66.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.13 -52.98 62.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 52' ' ' MET . 79.2 t -54.11 -62.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.853 ' HA ' HD12 ' A' ' 60' ' ' ILE . 7.4 t -41.5 -56.72 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -47.74 -46.5 30.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -63.42 -33.66 76.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 57' ' ' SER . 83.3 mt -60.46 -58.0 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -55.91 -45.66 78.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.05 117.07 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 t -82.67 -48.65 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.99 -37.34 4.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -82.63 124.89 30.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.986 HG22 ' CE2' ' A' ' 111' ' ' PHE . 14.2 pt -108.37 -28.58 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' N ' HG13 ' A' ' 66' ' ' ILE . 22.7 pttp -144.64 155.96 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -138.21 144.58 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.474 ' HD3' ' CG ' ' A' ' 103' ' ' TYR . 0.4 OUTLIER -117.2 103.04 9.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.637 ' HB2' HG13 ' A' ' 104' ' ' VAL . 71.4 m-85 -84.26 138.97 32.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -79.73 138.88 54.15 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD3' ' HB3' ' A' ' 103' ' ' TYR . 54.0 Cg_endo -69.78 79.79 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 mtm -74.05 -44.24 54.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -129.73 177.19 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -86.68 -47.78 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 78' ' ' ARG . 1.4 mt -78.17 -34.42 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.654 ' HA ' HD12 ' A' ' 80' ' ' ILE . 26.4 mt-10 -38.99 -30.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' ILE . 20.0 ttp180 -64.96 -54.93 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -57.42 -45.49 84.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.943 HD11 ' HD2' ' A' ' 45' ' ' LYS . 12.2 mt -57.84 -53.28 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.673 HD23 HG11 ' A' ' 104' ' ' VAL . 33.4 tp -55.53 -43.43 75.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.499 ' CE1' ' HB2' ' A' ' 92' ' ' SER . 17.5 m-70 -53.82 -48.95 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.604 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.7 t0 -58.94 -45.62 89.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.1 t -63.12 -36.53 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 81' ' ' LEU . 95.2 t -72.13 -56.79 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -50.43 -35.02 26.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 83' ' ' ASP . 72.2 t -74.36 -40.07 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -60.93 -31.09 70.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.43 34.08 2.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.731 HD11 HG12 ' A' ' 60' ' ' ILE . 88.3 mt -126.96 169.63 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.5 m -89.72 146.45 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.499 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . 29.1 p -132.23 134.59 45.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 14.0 m-85 -156.74 132.45 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -99.34 136.16 39.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 62.5 m-85 -141.75 123.92 15.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.53 157.25 24.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -84.87 -28.96 25.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -119.6 150.35 40.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.81 -35.15 74.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -80.52 -42.26 22.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 85.5 m -96.17 109.66 22.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -142.15 117.68 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.552 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 3.4 p90 -90.06 164.68 14.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.673 HG11 HD23 ' A' ' 81' ' ' LEU . 14.1 p -109.06 123.74 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 16.2 mtp -111.95 161.44 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.1 pt -140.76 141.74 31.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.427 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 4.3 m-85 -122.62 167.65 13.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.649 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 45.8 mttt -93.44 170.55 9.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -61.78 -48.15 81.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -78.87 -37.46 40.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.986 ' CE2' HG22 ' A' ' 66' ' ' ILE . 50.1 m-85 -91.79 18.02 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.85 144.73 90.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.427 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.7 Cg_endo -69.77 154.63 67.47 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.416 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 3.3 m -89.93 161.13 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -54.52 -67.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -51.02 -46.45 61.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.439 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 62.8 mm-40 -58.13 -42.42 85.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.482 HD13 ' CZ ' ' A' ' 93' ' ' PHE . 31.0 mt -56.34 -49.04 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -56.09 -49.17 74.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.4 p -67.27 -34.52 77.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 9.0 m-85 -56.89 -44.72 82.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -127.62 168.3 15.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.0 t -98.21 112.22 24.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.27 101.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.1 p -145.86 136.05 23.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 43' ' ' GLY . 90.9 p -148.2 169.15 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' SER . . . 35.12 66.72 0.33 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -118.99 176.58 5.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -42.91 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.0 t -39.11 -65.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -48.85 -46.42 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CD1' ' OE2' ' A' ' 77' ' ' GLU . 80.7 t80 -55.51 -50.21 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -51.06 -57.39 8.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -47.0 -51.54 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -54.4 -42.0 69.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.612 ' SD ' HD13 ' A' ' 81' ' ' LEU . 34.4 mmt -63.63 -42.82 98.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -55.68 -46.28 77.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -65.27 -46.06 82.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.46 -58.91 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 52' ' ' MET . 81.4 t -46.82 -61.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.495 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.6 t -47.55 -54.1 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -48.91 -43.0 38.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.67 -40.21 88.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.929 ' CG1' HD11 ' A' ' 90' ' ' LEU . 79.0 mt -57.42 -54.85 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -57.99 -42.62 85.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.56 114.61 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m -74.84 -48.77 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.52 -41.6 12.72 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.93 117.54 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.872 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.463 HG22 ' CE2' ' A' ' 111' ' ' PHE . 6.9 pt -99.8 -20.1 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -156.02 168.87 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.556 ' HB3' HD11 ' A' ' 106' ' ' ILE . 7.9 ttmt -146.11 133.19 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.57 105.12 15.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.589 ' HB2' HG13 ' A' ' 104' ' ' VAL . 49.2 m-85 -83.61 155.97 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.437 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 18.4 tt0 -103.89 138.51 19.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.646 0.736 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.7 Cg_endo -69.77 89.02 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.2 mtm -83.99 -41.98 16.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -127.81 177.07 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -88.43 -38.12 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.6 mm -88.51 -36.17 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.93 ' HA ' HD12 ' A' ' 80' ' ' ILE . 49.2 mt-10 -40.91 -29.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.547 ' HD2' ' CD2' ' A' ' 82' ' ' HIS . 2.8 tmm_? -59.9 -58.35 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 t -58.96 -42.45 89.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 77' ' ' GLU . 24.9 mt -54.78 -55.73 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.612 HD13 ' SD ' ' A' ' 52' ' ' MET . 55.4 tp -56.37 -47.88 77.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.547 ' CD2' ' HD2' ' A' ' 78' ' ' ARG . 4.0 m-70 -47.7 -47.43 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.4 t70 -60.75 -51.87 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.6 t -53.08 -35.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 90' ' ' LEU . 74.3 t -69.72 -67.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 4.4 pt-20 -40.66 -33.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 83' ' ' ASP . 88.7 t -77.03 -39.07 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -64.06 -33.69 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.29 32.32 2.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.929 HD11 ' CG1' ' A' ' 60' ' ' ILE . 60.0 mt -127.02 169.49 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.41 ' CG2' ' CE2' ' A' ' 93' ' ' PHE . 83.3 m -92.96 125.81 37.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 85.3 p -113.6 151.72 31.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 92' ' ' SER . 26.7 m-85 -165.8 163.83 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -124.6 130.81 53.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 103' ' ' TYR . 14.6 m-85 -139.9 126.55 20.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.82 149.13 20.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.95 -47.26 30.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -114.84 144.44 43.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -44.57 -40.61 5.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.37 -42.24 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 14.2 m -93.33 115.9 28.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -138.63 111.17 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.538 ' CD2' ' O ' ' A' ' 95' ' ' PHE . 4.8 p90 -100.31 165.62 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.589 HG13 ' HB2' ' A' ' 70' ' ' PHE . 1.8 p -114.5 135.64 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 40.0 mtp -123.43 161.98 23.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.556 HD11 ' HB3' ' A' ' 68' ' ' LYS . 15.4 pt -141.61 145.01 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.43 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 7.2 m-85 -130.73 166.15 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.642 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 49.9 mttt -86.54 173.83 9.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -64.4 -52.43 58.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -75.45 -38.09 59.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.463 ' CE2' HG22 ' A' ' 66' ' ' ILE . 69.0 m-85 -90.02 17.97 6.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.82 144.76 91.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.43 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.6 Cg_endo -69.78 159.86 51.82 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.9 m -95.68 164.36 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -55.34 -67.22 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -52.56 -45.37 66.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.489 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 34.2 mt-10 -59.99 -39.43 85.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.9 -48.29 81.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -58.05 -46.79 84.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.7 p -66.85 -40.24 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 13.6 m-85 -52.73 -49.31 65.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -64.77 -49.13 71.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -58.76 -28.88 66.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.2 -163.72 26.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.1 t -82.03 -53.41 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 110.884 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -162.36 85.72 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.8 Cg_endo -69.74 -2.66 10.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.386 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 127' ' ' PRO . 23.1 m -34.71 -47.81 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.9 m -55.53 -48.92 73.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -57.79 136.93 57.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 t -68.88 150.53 47.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.28 -94.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' SER . 14.5 t -125.78 126.25 44.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . 48.4 t -35.58 -43.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.76 164.12 1.84 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -96.32 147.16 24.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' VAL . 6.7 mptt -51.55 -44.39 62.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LYS . 84.6 t -34.29 -58.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -51.83 -57.46 9.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 79.7 t80 -49.96 -53.96 22.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -46.11 -54.78 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -49.36 -52.06 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -49.69 -57.15 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -49.5 -45.36 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -53.53 -44.77 69.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -66.61 -47.36 72.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.09 -61.89 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -44.82 -57.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.613 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.5 t -51.99 -56.19 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -47.37 -42.1 21.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.8 t80 -66.53 -37.17 84.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.636 ' CG1' HD11 ' A' ' 90' ' ' LEU . 83.3 mt -58.12 -52.43 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.88 -42.25 98.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.11 108.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -72.63 -45.89 56.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.76 -43.27 11.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -79.09 122.91 26.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.886 HG22 ' CE2' ' A' ' 111' ' ' PHE . 31.4 pt -99.81 -30.46 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.417 ' N ' HG13 ' A' ' 66' ' ' ILE . 16.1 ptpt -142.52 165.45 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.672 ' HB3' HD11 ' A' ' 106' ' ' ILE . 13.9 tttp -150.29 138.15 20.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 28.1 ttmt -121.91 123.69 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.459 ' CD1' HD21 ' A' ' 81' ' ' LEU . 91.5 m-85 -95.28 155.32 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.427 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 36.5 tt0 -93.28 138.02 23.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.77 88.68 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 19.5 mtm -82.95 -41.82 18.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.476 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 38.3 m-80 -127.79 177.2 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -88.8 -30.23 19.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.2 mm -93.98 -32.83 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -44.68 -30.92 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.581 ' HD2' ' CD2' ' A' ' 82' ' ' HIS . 4.8 tmm_? -61.51 -48.47 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.1 t -65.36 -50.13 66.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 77' ' ' GLU . 27.4 mt -51.06 -51.16 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.085 HD23 HG11 ' A' ' 104' ' ' VAL . 32.5 tp -58.11 -42.77 86.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.581 ' CD2' ' HD2' ' A' ' 78' ' ' ARG . 11.7 m-70 -51.95 -51.36 57.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.1 t70 -59.59 -43.34 93.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.87 -35.33 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 81' ' ' LEU . 95.8 t -72.8 -58.73 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.03 -33.75 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 83' ' ' ASP . 91.9 t -76.54 -42.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.493 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -58.55 -33.11 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.27 34.24 2.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.636 HD11 ' CG1' ' A' ' 60' ' ' ILE . 79.9 mt -125.31 168.52 13.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.4 m -87.5 135.28 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.401 ' HB3' HG11 ' A' ' 85' ' ' VAL . 71.0 p -126.75 140.63 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 31.4 m-85 -152.68 125.66 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.411 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 65.9 p -82.08 120.45 25.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 41.0 m-85 -130.1 125.01 34.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.0 140.52 11.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 23.0 pm0 -79.54 -33.67 41.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.811 0.338 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.453 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 5.8 t70 -134.02 142.18 47.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.19 -39.17 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.75 -42.17 86.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 15.6 t -103.37 113.4 26.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -126.42 104.96 8.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 44.2 p90 -96.14 165.52 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 1.085 HG11 HD23 ' A' ' 81' ' ' LEU . 14.7 p -117.09 144.04 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.423 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 18.3 mtp -129.3 162.61 27.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.832 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.672 HD11 ' HB3' ' A' ' 68' ' ' LYS . 27.3 pt -144.91 144.15 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.441 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 12.9 m-85 -128.08 165.68 19.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.72 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 38.6 mttt -89.67 168.7 11.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -62.22 -51.59 67.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -74.54 -39.23 62.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.886 ' CE2' HG22 ' A' ' 66' ' ' ILE . 67.5 m-85 -91.79 18.05 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.72 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.85 144.67 90.92 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.56 0.695 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.441 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.8 Cg_endo -69.77 153.11 69.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.316 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.407 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 2.8 m -90.26 165.96 13.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -56.79 -67.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -51.6 -45.19 63.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.457 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 63.3 mm-40 -59.66 -42.66 93.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.31 -52.3 63.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -54.36 -50.02 68.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -66.65 -32.42 73.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.457 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 7.9 m-85 -59.09 -43.91 91.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -71.17 -45.06 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -28.84 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.43 56.49 4.43 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 126' ' ' GLY . 71.5 p -146.14 144.7 30.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 125' ' ' SER . . . 34.42 -111.85 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 144.02 52.62 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.329 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.8 m -106.54 172.14 6.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.7 p -143.7 151.51 40.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.5 m -132.04 164.37 26.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -122.68 156.99 33.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.24 45.58 3.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 t -151.57 148.2 27.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.885 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.3 p -67.43 121.8 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.3 -47.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -108.1 12.26 26.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 110.947 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.674 ' HE2' HD11 ' A' ' 80' ' ' ILE . 7.3 mtpm? -66.17 -45.87 79.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' LYS . 94.2 t -34.9 -67.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -41.61 -59.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 77' ' ' GLU . 73.8 t80 -44.47 -49.54 9.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HD2' HG23 ' A' ' 80' ' ' ILE . 13.2 ttt-85 -54.95 -46.85 75.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.835 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -52.07 -55.79 18.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -51.2 -45.87 62.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.749 ' SD ' HD13 ' A' ' 81' ' ' LEU . 33.9 mmt -57.22 -41.88 80.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -58.41 -49.34 77.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -64.61 -46.57 82.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -59.79 -58.6 7.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 52' ' ' MET . 91.9 t -48.31 -62.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.465 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.7 t -44.6 -55.49 5.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -47.86 -43.03 28.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -64.92 -41.28 95.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.813 HG12 HD11 ' A' ' 90' ' ' LEU . 98.6 mt -54.18 -54.59 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -59.67 -41.83 91.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.44 113.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t -72.91 -58.79 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.97 -36.94 5.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -75.05 127.54 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.688 HG22 ' CE2' ' A' ' 111' ' ' PHE . 13.3 pt -113.13 -29.79 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' N ' HG13 ' A' ' 66' ' ' ILE . 35.4 pttt -147.76 160.71 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HB3' HD11 ' A' ' 106' ' ' ILE . 33.1 tttp -145.35 129.09 17.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -105.72 120.6 42.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.782 ' HB2' HG13 ' A' ' 104' ' ' VAL . 64.2 m-85 -94.62 169.14 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.402 ' O ' ' SD ' ' A' ' 73' ' ' MET . 15.2 mm-40 -112.03 138.55 21.76 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.5 Cg_endo -69.78 83.58 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.7 mpp? -77.04 -41.59 41.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -127.5 176.02 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -87.54 -34.11 18.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.0 mm -92.44 -35.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -40.9 -37.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -53.16 -55.71 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.7 t -60.78 -46.67 89.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.674 HD11 ' HE2' ' A' ' 45' ' ' LYS . 58.1 mt -52.39 -53.41 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.865 HD23 HG11 ' A' ' 104' ' ' VAL . 43.2 tp -56.58 -47.89 78.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -50.03 -43.69 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.88 -52.28 64.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.53 -37.1 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.452 HG13 ' HB2' ' A' ' 90' ' ' LEU . 73.6 t -66.47 -62.84 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -44.31 -35.51 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.828 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 86' ' ' GLU . 75.7 t -72.06 -40.14 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -64.85 -34.16 77.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.15 34.98 2.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.813 HD11 HG12 ' A' ' 60' ' ' ILE . 85.4 mt -126.03 165.91 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.0 m -86.53 139.27 31.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.3 p -133.01 139.47 47.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 40.2 m-85 -156.28 127.54 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.5 p -85.72 109.27 18.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.794 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 63.5 m-85 -116.1 125.25 52.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.93 144.28 15.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.31 -43.38 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.34 166.67 12.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.46 -42.22 98.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -69.78 -42.2 74.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 22.6 m -89.12 113.97 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -138.18 104.73 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 3.8 p90 -95.89 165.67 12.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.865 HG11 HD23 ' A' ' 81' ' ' LEU . 7.7 p -113.15 131.49 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.408 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 38.9 mtp -121.58 163.46 18.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 68' ' ' LYS . 16.2 pt -143.76 144.62 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.535 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 8.9 m-85 -127.5 169.54 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.742 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 33.4 mttt -93.44 173.41 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.74 -48.13 75.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.57 -35.6 39.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.688 ' CE2' HG22 ' A' ' 66' ' ' ILE . 56.9 m-85 -94.45 18.0 12.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.89 144.66 90.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.1 Cg_endo -69.78 156.94 62.01 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 m -95.82 163.07 13.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -54.47 -67.29 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -50.96 -46.48 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.493 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 55.6 mt-10 -58.02 -42.92 86.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.9 mt -55.34 -54.09 48.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.27 -48.48 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.7 p -71.09 -24.88 62.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 4.6 m-85 -68.0 -33.74 75.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -83.62 -39.77 19.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -64.42 -26.64 68.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 125' ' ' SER . . . 63.3 -157.02 41.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.44 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 124' ' ' GLY . 6.4 t -35.65 -49.99 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 175.93 -117.8 0.62 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 167.84 23.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 t -55.9 151.2 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.9 p -149.48 151.92 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.505 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.4 m -86.56 -60.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.5 m -49.22 -56.73 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -132.93 133.53 7.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -109.95 153.7 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.9 t -68.31 -49.08 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.15 134.1 2.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -139.18 165.82 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.902 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.866 ' HD3' HD11 ' A' ' 80' ' ' ILE . 38.2 mttm -90.07 -45.19 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' LYS . 92.6 t -36.08 -51.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -51.14 -54.41 25.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 65.8 t80 -56.06 -50.59 70.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -46.29 -50.24 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -56.78 -55.12 38.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 ttt85 -49.91 -46.47 51.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 29.2 mmt -59.0 -43.97 91.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.0 -46.19 71.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -67.59 -47.21 70.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -58.07 -59.42 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.6 t -48.87 -59.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 t -48.79 -59.63 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -42.62 -43.78 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 2.5 t80 -64.73 -48.47 74.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.741 HG12 HD11 ' A' ' 90' ' ' LEU . 81.7 mt -48.8 -53.77 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.77 -38.93 86.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.96 117.05 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -83.57 -48.07 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.06 -39.73 9.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -88.02 121.62 30.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.507 HG21 ' CE2' ' A' ' 111' ' ' PHE . 25.3 pt -94.13 -31.87 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.468 ' N ' HG13 ' A' ' 66' ' ' ILE . 13.3 ptpt -139.59 168.48 19.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.696 ' HB3' HD11 ' A' ' 106' ' ' ILE . 38.6 tttp -148.76 122.72 9.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -95.31 116.42 28.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.823 ' HB2' HG13 ' A' ' 104' ' ' VAL . 63.1 m-85 -85.8 168.9 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -117.8 138.54 25.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HB3' ' NH2' ' A' ' 78' ' ' ARG . 53.2 Cg_endo -69.78 80.7 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -76.68 -42.26 42.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.483 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 2.4 m120 -128.04 177.18 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -87.51 -36.04 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' GLU . 20.7 mm -89.1 -36.55 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.575 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 22.3 mt-10 -38.12 -35.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -53.92 -55.46 26.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 47.8 t -63.63 -48.4 77.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.866 HD11 ' HD3' ' A' ' 45' ' ' LYS . 48.1 mt -51.01 -56.58 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.863 HD23 HG11 ' A' ' 104' ' ' VAL . 31.2 tp -54.36 -43.02 70.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -52.56 -44.61 65.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.712 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.6 t70 -62.62 -48.81 77.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.6 t -59.5 -40.3 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.579 HG11 ' HB2' ' A' ' 92' ' ' SER . 73.4 t -67.99 -61.03 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 6.4 pt-20 -46.85 -33.15 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 83' ' ' ASP . 94.6 t -76.91 -39.86 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.623 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -59.27 -34.33 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.48 34.19 2.14 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.741 HD11 HG12 ' A' ' 60' ' ' ILE . 84.1 mt -127.24 171.05 11.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.4 m -100.3 121.18 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.579 ' HB2' HG11 ' A' ' 85' ' ' VAL . 3.0 t -115.85 153.76 30.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 37.2 m-85 -157.34 134.72 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.9 m -93.07 106.09 18.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.586 ' O ' ' CD2' ' A' ' 103' ' ' TYR . 48.7 m-85 -111.54 124.96 53.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.47 132.46 5.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -73.6 -36.64 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.14 155.29 34.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -53.41 -41.63 66.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.53 -41.97 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 22.8 m -88.02 108.63 19.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.46 ' O ' ' NE ' ' A' ' 78' ' ' ARG . 30.1 mtm180 -136.96 104.59 5.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 95' ' ' PHE . 46.7 p90 -98.26 165.71 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.863 HG11 HD23 ' A' ' 81' ' ' LEU . 7.4 p -118.93 143.57 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 42.5 mtp -126.93 159.86 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 68' ' ' LYS . 10.7 pt -137.89 147.64 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.539 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 10.6 m-85 -132.23 166.61 21.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.812 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 29.0 mttt -88.96 172.91 8.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -63.82 -52.08 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -74.68 -40.86 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.507 ' CE2' HG21 ' A' ' 66' ' ' ILE . 81.2 m-85 -90.19 17.97 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.812 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -71.08 144.83 90.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.703 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.539 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.2 Cg_endo -69.78 159.17 54.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.492 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 2.2 m -99.58 164.16 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -54.7 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -52.32 -46.39 66.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.492 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 6.3 mm-40 -57.54 -42.55 83.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.17 -51.32 68.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -55.84 -41.06 73.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 m -71.28 -40.02 71.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 23.4 m-85 -54.61 -42.99 71.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -74.86 -48.79 23.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -59.01 -29.0 66.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.34 -112.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.9 t 59.29 41.35 20.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.947 0.403 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 121.0 146.18 7.44 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.04 31.2 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.318 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.5 t -42.72 -60.05 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.6 m -81.46 177.31 9.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 t -46.42 -56.35 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.907 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.3 p -127.05 158.28 37.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.788 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.26 123.06 7.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -106.69 159.16 16.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.8 p -72.46 137.4 46.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.31 79.62 0.16 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -78.24 165.06 24.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HG2' HD11 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -89.66 -40.55 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 45' ' ' LYS . 87.6 t -34.05 -63.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.9 -56.09 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 77' ' ' GLU . 85.4 t80 -45.93 -62.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -43.06 -46.86 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -51.88 -58.64 5.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -47.24 -51.99 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.549 ' HG3' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -51.22 -46.89 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -53.74 -47.01 71.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -48.49 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -58.12 -62.44 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.9 t -46.49 -57.37 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.8 t -45.15 -58.88 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -47.82 -44.62 28.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -63.56 -40.91 98.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.96 ' CG1' HD11 ' A' ' 90' ' ' LEU . 63.1 mt -54.01 -54.66 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -58.17 -44.59 88.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -59.23 104.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -73.63 -44.82 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.19 -39.63 5.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -87.56 131.75 34.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' HB ' ' CB ' ' A' ' 111' ' ' PHE . 7.3 pt -111.74 -24.79 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 66' ' ' ILE . 20.9 pttt -143.61 155.6 44.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -147.0 135.72 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 5.3 ttpt -106.82 131.12 54.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.634 ' HB2' HG13 ' A' ' 104' ' ' VAL . 59.9 m-85 -103.62 168.52 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -109.53 138.37 20.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.84 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.3 mtm -95.48 -42.77 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.482 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 7.4 m-20 -128.36 177.31 7.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -90.13 -34.23 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.8 mm -90.43 -34.94 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 48' ' ' PHE . 22.3 mt-10 -39.8 -31.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.407 ' NH2' ' HB3' ' A' ' 102' ' ' ARG . 4.7 tpp85 -58.94 -53.94 52.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.2 t -62.68 -46.52 87.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 77' ' ' GLU . 36.1 mt -54.22 -57.77 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.834 HD23 HG11 ' A' ' 104' ' ' VAL . 21.2 tp -51.81 -50.57 60.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -44.7 -55.8 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -51.91 -52.32 50.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.8 t -50.78 -41.17 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.422 HG13 ' HB2' ' A' ' 90' ' ' LEU . 67.5 t -60.72 -61.1 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.68 -54.87 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -56.72 -40.5 70.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.764 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -62.62 -30.52 71.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.98 30.69 5.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.96 HD11 ' CG1' ' A' ' 60' ' ' ILE . 81.2 mt -127.07 167.67 15.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.2 m -89.1 144.64 25.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.1 p -132.51 133.41 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 32.2 m-85 -150.86 131.15 13.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.4 m -96.84 118.95 34.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CD1' ' HB3' ' A' ' 122' ' ' ARG . 49.2 m-85 -127.84 125.13 39.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.47 138.6 9.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.13 -44.68 62.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -115.21 140.52 49.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -46.8 -46.52 20.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.12 -42.21 99.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.62 105.19 17.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.407 ' HB3' ' NH2' ' A' ' 78' ' ' ARG . 1.8 tpp85 -130.26 104.83 7.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 4.2 p90 -94.86 165.72 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.834 HG11 HD23 ' A' ' 81' ' ' LEU . 7.5 p -113.15 134.79 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.484 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 30.4 mtp -117.13 158.96 23.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.8 pt -140.35 147.1 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 14.7 m-85 -134.19 168.24 19.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.765 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 33.4 mttt -89.75 174.04 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -67.06 -53.72 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.39 -36.03 63.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.455 ' CB ' ' HB ' ' A' ' 66' ' ' ILE . 50.5 m-85 -94.12 18.0 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.6 143.64 90.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.3 Cg_endo -69.68 160.08 51.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -97.7 171.83 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.89 -67.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -54.23 -44.33 71.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.585 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 6.3 mm-40 -59.52 -42.17 91.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.3 mt -56.39 -53.92 51.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -54.54 -42.23 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.5 m -75.72 -17.29 59.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 7.9 m-85 -82.15 -28.15 32.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.593 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 4.6 ptp180 -88.54 -33.63 17.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 9.6 ptt180 -58.58 -29.16 66.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.64 159.98 4.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.4 p -53.83 120.58 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.82 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.62 -151.62 5.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 103.13 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.7 m -89.93 116.09 27.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 32.9 p -57.22 -54.0 51.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.458 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.4 p -41.97 -47.12 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -89.37 129.53 35.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.46 -166.91 29.24 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.3 m -79.48 158.15 27.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t 67.46 42.05 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.73 48.26 0.92 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -138.26 174.17 10.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' VAL . 8.8 mptt -83.68 -39.31 20.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' GLU . 55.6 t -34.29 -64.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' VAL . 6.3 mm-40 -34.64 -55.81 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 63.6 t80 -64.27 -48.5 75.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -48.09 -68.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -51.17 -38.66 53.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -59.76 -46.68 88.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.785 ' SD ' HD13 ' A' ' 81' ' ' LEU . 29.0 mmt -63.34 -41.34 98.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -55.27 -46.84 76.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -62.42 -48.28 80.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.97 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.6 t -39.88 -56.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.571 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.0 t -48.19 -57.56 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -46.91 -43.42 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.14 -40.17 95.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.772 ' CG1' HD11 ' A' ' 90' ' ' LEU . 85.9 mt -55.64 -51.94 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -60.2 -42.89 96.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' NE2' ' A' ' 65' ' ' GLN . 2.0 t70 -59.98 121.37 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.8 t -82.84 -55.73 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.73 -40.03 2.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.446 ' NE2' ' CG ' ' A' ' 62' ' ' ASP . 37.0 mt-30 -77.54 119.27 20.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.951 HG22 ' CE2' ' A' ' 111' ' ' PHE . 23.6 pt -98.44 -22.59 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -147.64 170.6 17.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.547 ' HB3' HD11 ' A' ' 106' ' ' ILE . 10.5 tptt -143.12 124.71 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.1 tttt -97.58 103.12 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.822 ' HB2' HG13 ' A' ' 104' ' ' VAL . 31.5 m-85 -82.71 145.78 29.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -92.28 138.54 24.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.72 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 102' ' ' ARG . 53.2 Cg_endo -69.84 89.92 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.634 2.223 . . . . 0.0 112.328 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -86.75 -41.93 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.4 ' O ' ' OE1' ' A' ' 77' ' ' GLU . 2.4 m-80 -127.73 177.12 7.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -90.84 -28.86 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 76' ' ' ILE . 42.1 mm -93.06 -14.97 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -43.71 -25.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.553 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 8.6 tpp85 -64.72 -67.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.5 t -50.43 -47.14 56.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.8 mt -62.21 -68.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.857 HD23 HG11 ' A' ' 104' ' ' VAL . 49.8 tp -46.17 -54.32 8.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.531 ' CD2' ' HG3' ' A' ' 78' ' ' ARG . 8.0 m-70 -45.16 -51.12 10.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 87' ' ' VAL . 5.8 t0 -53.56 -49.85 66.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.06 -31.57 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.587 HG11 ' HB3' ' A' ' 92' ' ' SER . 98.9 t -69.76 -53.33 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 87' ' ' VAL . 3.6 pt-20 -57.7 -35.05 70.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 83' ' ' ASP . 91.0 t -69.82 -39.61 78.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.74 -32.16 72.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.33 36.09 2.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.772 HD11 ' CG1' ' A' ' 60' ' ' ILE . 81.6 mt -126.96 169.1 13.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.6 m -93.73 136.46 33.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.587 ' HB3' HG11 ' A' ' 85' ' ' VAL . 78.5 p -125.87 143.53 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.569 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 12.1 m-85 -151.84 149.14 28.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.4 p -106.53 111.2 23.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 92.7 m-85 -117.46 125.7 51.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.51 134.83 7.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -73.53 -38.94 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -132.59 161.78 32.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -52.68 -46.99 67.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -72.8 -42.15 64.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 7.3 t -86.47 103.65 15.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 72' ' ' PRO . 53.0 mtm180 -139.33 125.99 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -127.05 165.57 19.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.857 HG11 HD23 ' A' ' 81' ' ' LEU . 14.4 p -106.07 146.05 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.0 mtp -138.21 155.23 48.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.547 HD11 ' HB3' ' A' ' 68' ' ' LYS . 7.1 pt -137.27 144.79 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.531 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 27.7 m-85 -125.79 171.61 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.776 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 30.1 mttt -93.37 171.8 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.82 -50.56 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.65 -38.6 47.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.951 ' CE2' HG22 ' A' ' 66' ' ' ILE . 41.4 m-85 -91.06 17.95 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.89 144.58 90.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.531 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.1 Cg_endo -69.76 151.77 69.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.6 m -93.79 165.59 12.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.45 -66.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -54.22 -44.58 71.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 15.5 mm-40 -59.32 -36.14 75.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.87 -50.27 69.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.43 -42.7 74.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.1 p -73.45 -40.6 64.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 10.6 m-85 -51.84 -41.29 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -79.3 -40.66 29.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -26.69 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.21 -151.99 18.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.3 t -118.99 149.95 40.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.03 84.67 1.66 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 160.65 48.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.344 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 40.8 m -97.95 169.76 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.5 t -136.36 135.51 38.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.8 p 52.29 41.26 30.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.367 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.2 m 61.16 43.04 11.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.71 -115.59 3.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -112.17 122.6 48.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.386 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' GLY . 35.8 p -112.19 173.43 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' SER . . . -36.42 118.67 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.448 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' LYS . 12.5 mt-30 -138.56 135.05 34.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 46' ' ' VAL . 36.4 mttp -35.31 -41.92 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' LYS . 92.1 t -33.76 -60.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.47 -59.78 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 58.8 t80 -51.07 -57.49 8.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -41.87 -60.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -45.34 -56.21 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.428 ' HG2' ' HE3' ' A' ' 52' ' ' MET . 63.6 ttt-85 -48.02 -58.46 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.532 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -48.05 -45.44 32.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.557 ' HG2' HG13 ' A' ' 84' ' ' VAL . 43.0 mt-10 -53.88 -43.94 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -68.53 -48.8 63.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.39 -57.08 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.688 HG13 HD12 ' A' ' 90' ' ' LEU . 70.7 t -49.74 -57.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.624 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.5 t -47.65 -58.98 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -45.58 -42.53 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 108' ' ' LYS . 2.5 t80 -65.06 -39.94 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.948 ' CG1' HD11 ' A' ' 90' ' ' LEU . 91.2 mt -56.1 -48.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -65.02 -39.4 93.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.41 105.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 m -71.61 -54.06 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -42.65 -39.31 3.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -83.77 127.23 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.815 HG22 ' CE2' ' A' ' 111' ' ' PHE . 8.2 pt -108.95 -24.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 66' ' ' ILE . 16.8 pttp -142.08 158.26 43.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HB3' HD11 ' A' ' 106' ' ' ILE . 19.1 ttmm -143.79 137.52 28.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -101.01 128.92 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.75 ' HB2' HG13 ' A' ' 104' ' ' VAL . 22.2 m-85 -109.88 115.98 30.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' O ' ' SD ' ' A' ' 73' ' ' MET . 14.6 tm0? -63.18 138.21 97.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HD2' ' CD ' ' A' ' 71' ' ' GLN . 53.5 Cg_endo -69.79 83.65 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.413 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.5 mpp? -75.86 -42.39 49.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 3.1 m120 -128.23 177.88 6.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -93.22 -22.53 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 78' ' ' ARG . 34.3 mm -96.27 -30.31 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.0 pt-20 -37.82 -27.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -60.8 -53.07 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 m -69.38 -44.19 72.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mt -59.89 -61.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.719 HD23 HG11 ' A' ' 104' ' ' VAL . 16.2 tp -51.92 -43.98 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 5.3 m-70 -52.25 -48.94 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.748 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.8 t70 -58.28 -45.42 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.557 HG13 ' HG2' ' A' ' 53' ' ' GLU . 92.9 t -58.74 -40.71 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.729 HG13 ' HB2' ' A' ' 90' ' ' LEU . 90.1 t -67.97 -63.29 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 6.5 pt-20 -43.29 -36.05 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 83' ' ' ASP . 98.2 t -72.09 -41.46 67.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.6 -30.73 71.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.148 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.92 37.46 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.948 HD11 ' CG1' ' A' ' 60' ' ' ILE . 84.6 mt -126.91 166.78 16.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.2 m -96.12 147.72 23.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.8 ' OG ' HG22 ' A' ' 106' ' ' ILE . 18.2 m -148.63 151.47 35.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 45.0 m-85 -154.19 167.43 29.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 p -106.61 113.69 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 28.6 m-85 -134.9 124.87 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.11 153.84 22.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -82.22 -43.41 17.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.58 139.17 51.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -44.3 -43.1 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.58 -42.27 82.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 59.6 m -99.12 110.04 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -126.61 108.74 11.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.413 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 8.5 p90 -96.2 165.62 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.75 HG13 ' HB2' ' A' ' 70' ' ' PHE . 8.7 p -116.94 134.98 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.0 mmm -117.44 162.7 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.8 HG22 ' OG ' ' A' ' 92' ' ' SER . 12.9 pt -138.06 143.07 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.483 ' CD2' ' HD3' ' A' ' 113' ' ' PRO . 4.4 m-85 -126.23 163.72 22.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.64 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 35.2 mttt -88.56 173.03 8.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -63.79 -52.56 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -75.64 -39.84 57.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.815 ' CE2' HG22 ' A' ' 66' ' ' ILE . 28.6 m-85 -87.59 17.92 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.71 144.46 91.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.554 0.692 . . . . 0.0 111.155 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.483 ' HD3' ' CD2' ' A' ' 107' ' ' PHE . 54.3 Cg_endo -69.75 160.01 51.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.434 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 2.4 m -94.7 161.05 14.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -54.16 -67.37 0.27 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -52.75 -46.44 67.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 77.8 mt-10 -57.05 -42.38 80.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 113' ' ' PRO . 30.6 mt -56.83 -51.39 69.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -54.79 -42.78 72.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -69.54 -42.45 74.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 20.2 m-85 -51.2 -47.08 62.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -68.95 -43.83 74.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -60.46 -28.73 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 120.35 -124.09 5.8 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.0 t -106.83 164.35 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -71.32 -157.14 2.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.82 5.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 m -92.13 147.55 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.1 m -42.43 -48.87 5.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.9 m -74.56 -62.0 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.818 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -64.6 151.6 44.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.9 107.11 3.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 p -146.99 147.65 30.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.9 p -105.7 156.81 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.38 71.59 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -114.58 126.76 55.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HG2' HD11 ' A' ' 80' ' ' ILE . 62.4 mttt -38.3 -46.49 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.1 t -34.34 -52.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -54.16 -56.45 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 62.6 t80 -55.58 -50.57 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -47.98 -57.09 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -50.68 -54.82 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.8 ttt85 -48.17 -47.73 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.529 ' O ' HG23 ' A' ' 56' ' ' VAL . 30.9 mmt -59.53 -43.34 93.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -53.82 -47.77 70.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -61.74 -48.68 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -60.13 -60.9 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 52' ' ' MET . 90.7 t -41.82 -58.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -47.75 -61.05 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -44.04 -41.58 5.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.7 t80 -68.1 -43.45 78.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.736 HD11 ' HB1' ' A' ' 88' ' ' ALA . 71.8 mt -53.5 -53.36 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.86 -42.53 98.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.81 105.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -73.73 -44.58 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.74 -40.71 33.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.23 117.96 23.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 110.942 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.661 HG21 ' CE2' ' A' ' 111' ' ' PHE . 27.7 pt -96.58 -31.04 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.447 ' N ' HG13 ' A' ' 66' ' ' ILE . 39.4 pttt -136.3 153.38 51.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HB3' ' CG1' ' A' ' 106' ' ' ILE . 30.6 tttt -131.42 140.02 49.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -113.17 110.76 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.578 ' HB2' HG13 ' A' ' 104' ' ' VAL . 67.4 m-85 -82.48 168.99 16.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' O ' ' SD ' ' A' ' 73' ' ' MET . 38.2 mt-30 -110.55 138.8 21.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.432 ' HA ' ' OE2' ' A' ' 77' ' ' GLU . 53.3 Cg_endo -69.76 92.28 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 2.2 mpp? -95.7 -43.98 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.405 ' O ' ' OE2' ' A' ' 77' ' ' GLU . 85.0 m-20 -129.23 177.66 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -91.89 -34.09 14.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' GLU . 21.4 mm -84.72 -23.14 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 17.7 pt-20 -37.55 -34.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.479 ' HG3' ' CD2' ' A' ' 82' ' ' HIS . 2.9 tpp180 -57.12 -66.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.8 m -51.38 -51.15 57.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.489 HD11 ' HG2' ' A' ' 45' ' ' LYS . 57.5 mt -57.55 -67.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.76 HD23 HG11 ' A' ' 104' ' ' VAL . 17.7 tp -46.31 -52.29 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.479 ' CD2' ' HG3' ' A' ' 78' ' ' ARG . 5.5 m-70 -48.3 -43.89 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 87' ' ' VAL . 46.8 t0 -59.08 -48.64 80.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.35 -34.07 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.423 HG13 ' HB2' ' A' ' 90' ' ' LEU . 94.5 t -69.62 -59.45 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 1.2 pp20? -48.73 -36.26 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 83' ' ' ASP . 78.6 t -70.42 -41.88 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.736 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.11 -34.52 78.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 107.77 37.76 2.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.703 HD11 ' CG1' ' A' ' 60' ' ' ILE . 87.7 mt -127.15 163.08 24.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.0 m -83.81 146.21 28.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 p -135.84 148.15 48.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -161.33 167.11 26.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.431 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 96.1 p -119.63 128.85 54.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -142.98 124.09 14.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.89 138.61 9.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -76.86 -44.94 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -117.66 139.62 50.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -42.36 -48.62 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -42.27 92.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 42.5 t -91.46 106.96 18.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -133.15 108.74 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 4.0 p90 -107.57 155.19 20.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.76 HG11 HD23 ' A' ' 81' ' ' LEU . 11.4 p -102.46 134.45 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 68.1 mtp -119.39 164.0 16.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.475 ' CG1' ' HB3' ' A' ' 68' ' ' LYS . 7.2 pt -140.48 147.7 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -128.55 164.44 22.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -87.57 168.89 12.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -58.64 -58.91 6.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.56 -40.72 80.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.661 ' CE2' HG21 ' A' ' 66' ' ' ILE . 38.9 m-85 -84.95 18.0 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.92 140.14 88.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.05 54.81 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.277 . . . . 0.0 112.286 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.481 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 3.2 m -94.99 164.47 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.71 -67.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -52.02 -46.92 65.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 64.3 mm-40 -56.79 -45.52 82.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.55 -49.18 68.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -55.48 -47.12 76.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.6 p -66.36 -42.11 88.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -50.07 -51.61 41.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.66 -42.16 87.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -58.92 -29.12 66.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 131.74 98.24 0.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.3 t -98.3 164.25 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -124.0 160.2 18.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.07 2.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.332 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.5 t 66.5 45.55 2.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.0 m -126.64 167.32 15.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.7 p -72.52 158.39 35.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.924 0.393 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.0 p -72.61 -41.48 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.75 173.55 30.65 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.8 p -91.73 145.75 24.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.839 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.9 p -80.47 -33.5 36.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.03 -42.9 1.34 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -61.52 147.41 45.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 46' ' ' VAL . 31.3 mmmt -66.51 -25.56 66.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 45' ' ' LYS . 96.7 t -33.46 -51.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -53.85 -57.32 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 76.7 t80 -49.8 -57.68 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -42.08 -51.36 4.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -53.57 -50.44 65.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -50.6 -52.41 39.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.535 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -53.95 -47.19 71.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -50.59 -47.19 58.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -64.9 -46.59 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.57 -65.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.2 t -42.99 -58.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.473 ' HA ' HD12 ' A' ' 60' ' ' ILE . 6.9 t -47.43 -54.81 10.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.26 -46.77 55.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -61.85 -38.64 88.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.908 ' CG1' HD11 ' A' ' 90' ' ' LEU . 94.0 mt -56.61 -57.38 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -56.82 -39.01 73.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.73 112.92 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' GLY . 52.0 m -70.59 -65.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' SER . . . -38.43 -38.39 0.63 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -74.27 116.84 15.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.843 HG22 ' CE2' ' A' ' 111' ' ' PHE . 22.5 pt -103.32 -27.88 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' N ' HG13 ' A' ' 66' ' ' ILE . 34.7 pttt -145.65 161.68 39.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HB3' HD11 ' A' ' 106' ' ' ILE . 20.2 tttm -145.57 132.69 20.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.476 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 28.3 tttt -102.99 143.9 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.574 ' HB2' HG13 ' A' ' 104' ' ' VAL . 63.8 m-85 -119.83 168.04 11.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -113.88 138.28 22.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.427 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.6 Cg_endo -69.77 92.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 11.4 mtm -91.1 -42.95 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -128.66 175.6 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -27.78 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' GLU . 19.5 mm -89.79 -30.05 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.5 pp20? -38.09 -32.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.434 ' NH2' ' HB2' ' A' ' 94' ' ' SER . 0.3 OUTLIER -58.21 -67.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.5 t -49.0 -46.98 44.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.6 mt -58.27 -68.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.73 HD23 HG11 ' A' ' 104' ' ' VAL . 38.9 tp -47.38 -45.8 25.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -55.57 -43.3 75.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.509 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.0 t0 -62.51 -48.18 80.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.66 -34.14 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 81' ' ' LEU . 98.9 t -71.41 -61.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 1.0 OUTLIER -46.34 -35.45 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 83' ' ' ASP . 76.7 t -73.98 -41.1 52.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.767 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -63.31 -33.35 75.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.58 37.39 2.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.908 HD11 ' CG1' ' A' ' 60' ' ' ILE . 82.9 mt -125.31 165.61 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.7 m -83.02 136.41 34.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.421 ' HB3' HG11 ' A' ' 85' ' ' VAL . 22.0 p -129.57 137.77 50.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.589 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 23.3 m-85 -144.92 156.49 44.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.434 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -112.67 107.28 15.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 54.8 m-85 -124.27 124.05 41.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.489 ' HA3' ' CB ' ' A' ' 102' ' ' ARG . . . -138.19 156.78 24.11 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -89.68 -29.59 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -125.49 133.21 52.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.58 -40.88 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -77.49 -42.33 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 56.9 m -110.12 111.75 23.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.489 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 7.7 ptm180 -138.48 133.95 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 103' ' ' TYR . 3.5 p90 -93.38 165.69 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.73 HG11 HD23 ' A' ' 81' ' ' LEU . 13.8 p -115.18 136.27 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.476 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 20.9 mtp -123.68 163.47 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.439 HD11 ' HB3' ' A' ' 68' ' ' LYS . 11.4 pt -142.08 146.02 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.534 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 13.4 m-85 -129.51 165.06 22.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.786 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 43.2 mttt -87.48 168.51 13.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -63.48 -48.21 78.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.39 -40.45 36.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.843 ' CE2' HG22 ' A' ' 66' ' ' ILE . 54.3 m-85 -90.39 17.98 6.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.61 144.57 91.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.549 0.69 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.534 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 54.0 Cg_endo -69.71 150.35 68.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 m -89.8 166.02 13.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -55.2 -67.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -52.44 -45.21 65.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 5.3 mm-40 -59.79 -39.95 86.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.29 -49.25 77.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -57.55 -45.29 85.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.5 p -69.42 -36.42 76.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 12.4 m-85 -56.41 -48.02 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -68.31 -43.54 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -59.24 -28.03 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -39.38 -42.44 1.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.5 t -111.65 135.23 52.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 110.816 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 101.37 129.14 6.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 107.35 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.392 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.8 m -78.86 160.72 27.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 90.1 p -134.82 164.83 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.2 t -105.88 145.72 30.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.373 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -70.14 156.18 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.38 88.28 1.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -59.59 149.05 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.0 p -89.7 122.69 33.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.51 71.58 0.79 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -62.16 162.2 9.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -80.18 -45.6 17.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.1 t -38.44 -51.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -53.42 -54.93 29.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 77' ' ' GLU . 90.8 t80 -54.59 -49.14 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -47.33 -55.4 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -52.63 -50.14 63.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -50.07 -49.12 52.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.518 ' O ' HG23 ' A' ' 56' ' ' VAL . 31.9 mmt -57.77 -41.84 82.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.48 -46.33 76.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -65.56 -49.96 66.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -58.95 -63.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 52' ' ' MET . 85.3 t -44.17 -61.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.627 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.3 t -45.86 -60.53 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -41.01 -45.62 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -63.38 -42.46 98.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.635 ' CG1' HD11 ' A' ' 90' ' ' LEU . 95.3 mt -53.02 -55.09 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -57.84 -43.75 86.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -58.37 111.54 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -76.49 -56.35 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.29 -41.31 2.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -78.46 125.82 29.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.722 HG22 ' CE2' ' A' ' 111' ' ' PHE . 11.2 pt -107.53 -30.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' N ' HG13 ' A' ' 66' ' ' ILE . 50.0 pttt -138.86 153.21 48.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.951 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -143.32 136.91 28.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -107.16 147.25 30.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.523 ' HB2' HG13 ' A' ' 104' ' ' VAL . 56.6 m-85 -119.14 169.25 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 73' ' ' MET . 21.3 mt-30 -113.56 138.94 22.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.574 0.702 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 79.93 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 3.7 mpp? -74.88 -42.48 57.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' C ' ' HE3' ' A' ' 75' ' ' LYS . 2.7 m-80 -128.36 177.85 6.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -93.22 -23.31 18.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' ARG . 47.6 mm -96.03 -29.79 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.0 pt-20 -38.52 -29.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 76' ' ' ILE . 14.0 mmm-85 -58.69 -55.78 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.3 t -65.29 -41.57 94.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 77' ' ' GLU . 21.0 mt -61.37 -63.04 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.791 HD23 HG11 ' A' ' 104' ' ' VAL . 23.4 tp -52.91 -41.27 64.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 11.6 m-70 -55.19 -45.7 75.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.7 t0 -62.03 -43.87 97.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.93 -38.85 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 90' ' ' LEU . 91.5 t -69.31 -59.98 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.9 pt-20 -46.91 -36.4 7.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 83' ' ' ASP . 95.6 t -72.6 -42.26 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.83 -31.58 72.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.81 39.18 2.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.705 ' HB2' HG13 ' A' ' 85' ' ' VAL . 99.1 mt -126.97 161.57 28.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.902 0.382 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.6 m -92.23 139.89 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -132.33 159.56 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.492 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 23.5 m-85 -159.55 169.43 23.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.3 t -123.0 126.41 47.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.602 ' O ' ' CE2' ' A' ' 103' ' ' TYR . 49.0 m-85 -146.68 123.92 11.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.28 153.13 22.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.58 -40.02 66.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -124.3 150.65 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -48.77 -41.43 32.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.17 -41.85 76.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 59.4 m -94.16 111.78 23.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -134.45 111.04 9.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 95' ' ' PHE . 5.0 p90 -97.27 162.13 13.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.791 HG11 HD23 ' A' ' 81' ' ' LEU . 11.0 p -112.92 138.85 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.077 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 54.9 mtp -125.53 161.03 28.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 pt -140.89 144.18 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.534 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 46.9 m-85 -132.78 162.27 31.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.763 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 37.3 mttt -81.2 174.07 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -67.46 -53.23 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.59 -38.92 62.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.722 ' CE2' HG22 ' A' ' 66' ' ' ILE . 49.4 m-85 -90.69 17.97 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.42 144.79 92.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.709 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.534 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.6 Cg_endo -69.82 158.29 57.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 m -101.67 170.85 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.41 -67.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.29 -48.94 70.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.595 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 44.8 mt-10 -55.19 -41.24 71.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.08 -55.18 38.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -53.66 -36.89 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.2 m -76.83 -33.96 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.595 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 15.0 m-85 -65.19 -44.63 87.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.936 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.593 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -74.06 -35.97 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -69.01 -28.5 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 112.87 134.83 6.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.451 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.8 t -77.57 -53.31 7.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.91 -170.32 0.45 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -31.24 20.72 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.339 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 93.7 p -85.02 137.89 32.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.5 t -89.81 -52.49 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.528 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.8 p -153.5 152.84 31.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.4 p -85.55 157.22 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.92 -60.89 0.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.0 t -70.6 160.86 31.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.1 m -84.52 175.33 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.93 64.45 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -145.34 161.48 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.0 ' HD2' HD11 ' A' ' 80' ' ' ILE . 22.1 mmtt -61.12 -45.36 95.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . 90.3 t -34.67 -65.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' VAL . 18.2 mt-10 -36.85 -60.9 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.622 ' CE1' ' CD ' ' A' ' 77' ' ' GLU . 86.2 t80 -51.93 -51.45 56.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -44.54 -52.09 8.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -56.12 -54.64 42.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -47.32 -46.67 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.642 ' O ' HG23 ' A' ' 56' ' ' VAL . 28.4 mmt -61.1 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -51.83 -47.23 64.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -58.02 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.02 -47.78 44.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 52' ' ' MET . 77.9 t -54.37 -63.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.97 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.6 t -46.77 -55.06 8.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -46.19 -45.62 16.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -62.86 -41.85 99.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.97 HD12 ' HA ' ' A' ' 57' ' ' SER . 43.2 mt -54.28 -54.26 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -59.68 -40.75 88.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.29 113.21 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.0 p -81.96 -47.17 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.36 -40.34 2.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.72 123.2 34.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.588 HG21 ' CE2' ' A' ' 111' ' ' PHE . 14.9 pt -96.75 -23.2 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -143.91 160.36 40.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.477 ' HB3' HD11 ' A' ' 106' ' ' ILE . 19.7 ttmm -139.76 122.7 16.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -98.98 113.54 25.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.866 ' HB2' HG13 ' A' ' 104' ' ' VAL . 49.0 m-85 -85.37 168.49 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -116.33 138.66 24.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.476 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.9 Cg_endo -69.78 81.43 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -78.18 -42.13 32.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.527 ' ND2' ' NZ ' ' A' ' 45' ' ' LYS . 12.7 t-20 -128.04 175.37 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HG2' ' N ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -86.9 -36.03 18.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.5 ' N ' ' HG2' ' A' ' 75' ' ' LYS . 10.3 mm -88.9 -29.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.693 ' HA ' HD12 ' A' ' 80' ' ' ILE . 24.9 mt-10 -43.75 -28.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -60.61 -57.48 12.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 t -60.0 -45.42 92.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.0 HD11 ' HD2' ' A' ' 45' ' ' LYS . 17.7 mt -55.37 -62.54 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.772 HD23 HG11 ' A' ' 104' ' ' VAL . 25.2 tp -51.59 -44.49 62.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 30.9 m-70 -50.12 -53.96 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 87' ' ' VAL . 42.2 t0 -55.47 -45.05 76.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.2 t -58.97 -33.81 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.594 HG11 ' HB3' ' A' ' 92' ' ' SER . 83.2 t -71.32 -57.58 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 6.5 pt-20 -51.27 -30.88 19.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 83' ' ' ASP . 85.3 t -79.7 -39.41 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.419 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -62.01 -32.8 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.1 33.37 3.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.55 HD11 ' CG1' ' A' ' 60' ' ' ILE . 82.2 mt -124.35 169.77 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.477 HG21 ' HD2' ' A' ' 113' ' ' PRO . 74.7 m -89.08 130.77 35.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.594 ' HB3' HG11 ' A' ' 85' ' ' VAL . 45.2 p -117.35 141.17 48.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.596 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 24.7 m-85 -155.07 125.21 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.4 ' OG ' ' NE2' ' A' ' 82' ' ' HIS . 63.2 m -91.31 114.9 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.54 ' O ' ' CZ ' ' A' ' 103' ' ' TYR . 44.9 m-85 -119.28 125.13 48.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.09 130.15 4.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.3 -29.21 61.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.26 177.98 6.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.06 -46.5 9.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -61.34 -41.98 97.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 77.3 m -106.35 115.86 30.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -130.66 105.18 7.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 36.4 p90 -90.07 165.38 14.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.866 HG13 ' HB2' ' A' ' 70' ' ' PHE . 7.4 p -118.81 136.47 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 53.0 mtp -123.86 158.91 30.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 68' ' ' LYS . 8.7 pt -141.24 147.86 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.516 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 10.8 m-85 -129.66 162.35 28.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.669 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 44.8 mttt -81.55 170.94 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -60.48 -53.57 55.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.48 -40.11 62.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' A' ' 66' ' ' ILE . 62.0 m-85 -88.26 17.75 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.97 144.74 90.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.516 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.9 Cg_endo -69.7 155.44 66.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.385 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 1.9 m -100.53 165.94 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -53.42 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.27 -43.48 67.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.599 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 16.5 mm-40 -61.25 -36.66 80.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.596 HD11 ' CZ ' ' A' ' 93' ' ' PHE . 24.0 mt -62.41 -48.96 77.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -58.96 -40.36 84.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -72.67 -40.99 65.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 18.2 m-85 -53.78 -44.84 70.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -71.47 -44.23 65.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 123' ' ' ARG . 5.3 mmm180 -59.48 -29.05 67.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -76.4 176.95 51.63 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.2 m -66.02 -59.41 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.816 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 99.84 146.18 19.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 171.79 13.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.38 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.3 m -151.04 159.13 44.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 94.3 p -137.65 143.03 41.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.9 m -72.93 130.68 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.3 p -67.77 -43.99 78.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.83 -143.69 8.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 93.4 p -91.59 160.74 15.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.8 p -64.84 115.17 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.56 78.58 0.26 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.13 10.36 22.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' VAL . 44.0 mttt -80.02 -43.75 21.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' LYS . 93.0 t -33.92 -58.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -54.03 -57.18 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 55.2 t80 -49.49 -58.01 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -43.45 -56.72 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -46.51 -54.48 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -50.38 -57.29 8.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.597 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -48.13 -43.74 31.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -56.1 -47.96 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -67.02 -47.99 69.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.4 -55.09 37.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 52' ' ' MET . 89.9 t -51.37 -61.05 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.502 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.9 t -46.5 -61.06 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -43.44 -41.12 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' A' ' 68' ' ' LYS . 3.8 t80 -68.18 -44.38 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.879 HG12 HD11 ' A' ' 90' ' ' LEU . 84.7 mt -53.93 -53.66 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -60.14 -44.32 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.46 111.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.1 p -77.4 -27.98 52.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.69 -34.26 86.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -86.57 120.49 27.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.94 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 1.005 HG22 ' CE2' ' A' ' 111' ' ' PHE . 11.9 pt -101.28 -27.87 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 66' ' ' ILE . 18.6 pttm -141.98 146.75 35.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.585 ' HB3' HD11 ' A' ' 106' ' ' ILE . 43.3 tttm -128.13 118.57 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -95.71 134.8 38.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.672 ' HB2' HG13 ' A' ' 104' ' ' VAL . 90.2 m-85 -116.75 140.05 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.449 ' CG ' ' HD2' ' A' ' 72' ' ' PRO . 38.5 tt0 -84.19 138.51 39.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.449 ' HD2' ' CG ' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.76 81.5 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.1 mtm -75.4 -43.64 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.497 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 21.7 t30 -129.1 177.16 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -87.08 -36.87 17.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 77' ' ' GLU . 28.4 mm -88.62 -39.15 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.497 ' OE2' ' CB ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -36.82 -39.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.434 ' CG ' ' HB ' ' A' ' 104' ' ' VAL . 10.1 ttm180 -56.41 -57.83 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -53.5 -52.97 57.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.2 mt -50.66 -47.3 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.769 HD23 HG11 ' A' ' 104' ' ' VAL . 26.2 tp -58.69 -41.65 86.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -55.8 -47.78 76.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 87' ' ' VAL . 29.9 t70 -58.73 -47.23 85.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.84 -37.34 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 81' ' ' LEU . 57.5 t -69.27 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 4.9 pt-20 -46.2 -33.36 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 83' ' ' ASP . 90.4 t -74.85 -40.03 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.579 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -64.81 -33.06 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.38 36.92 2.19 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.879 HD11 HG12 ' A' ' 60' ' ' ILE . 69.4 mt -127.07 167.59 15.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 85.7 m -90.59 125.88 35.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 p -112.99 151.98 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 18.5 m-85 -161.73 162.04 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.439 ' O ' ' NH1' ' A' ' 122' ' ' ARG . 45.8 m -123.45 124.44 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.577 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 36.9 m-85 -134.79 125.1 26.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.05 147.88 19.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -79.31 -44.69 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.86 0.362 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 101' ' ' CYS . 7.7 t0 -116.66 142.38 46.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -44.25 -47.98 9.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -65.58 -42.46 91.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' ASP . 9.6 t -95.51 105.92 17.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -130.68 109.93 11.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 20.8 p90 -94.41 165.82 12.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.769 HG11 HD23 ' A' ' 81' ' ' LEU . 12.3 p -117.79 135.16 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 70.2 mtp -125.93 161.85 26.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' A' ' 68' ' ' LYS . 11.5 pt -140.18 149.01 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.531 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 5.9 m-85 -129.96 167.92 17.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.632 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 44.1 mttt -90.81 165.27 13.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -58.08 -43.36 86.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.593 ' OE1' ' CZ ' ' A' ' 111' ' ' PHE . 0.2 OUTLIER -83.28 -39.41 20.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 1.005 ' CE2' HG22 ' A' ' 66' ' ' ILE . 37.6 m-85 -90.44 17.98 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.42 145.08 92.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.531 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.7 Cg_endo -69.81 154.92 66.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -89.2 164.44 14.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -67.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -52.11 -44.25 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.492 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 70.6 mm-40 -60.56 -40.28 91.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.47 -53.78 54.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -52.93 -50.0 64.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.9 m -63.67 -41.02 98.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.492 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 12.4 m-85 -53.52 -39.63 64.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 94' ' ' SER . 68.7 mtp85 -77.04 -33.24 57.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -63.73 -28.97 70.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.31 -40.48 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.6 m -51.99 156.97 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 178.82 167.92 37.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.68 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.388 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.5 t -79.93 130.8 35.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 90.5 p -90.5 -29.33 17.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -103.38 152.29 21.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.818 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 m -66.58 137.93 57.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.06 121.06 1.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.8 m -109.65 130.47 55.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.4 p -120.79 121.51 38.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.73 164.93 17.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.533 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.441 HE21 HG23 ' A' ' 46' ' ' VAL . 12.6 tt0 -100.71 147.8 25.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.934 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' VAL . 4.0 mptt -41.11 -34.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.441 HG23 HE21 ' A' ' 44' ' ' GLN . 91.1 t -35.12 -67.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -42.4 -57.79 2.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' HD2' HG21 ' A' ' 80' ' ' ILE . 33.5 t80 -48.76 -62.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.775 ' HD3' HG23 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -36.02 -56.15 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -50.69 -52.46 39.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -56.78 -46.83 81.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.565 ' O ' HG23 ' A' ' 56' ' ' VAL . 27.3 mmt -62.11 -39.73 93.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.622 ' OE1' HG13 ' A' ' 84' ' ' VAL . 13.3 mm-40 -64.24 -54.49 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -56.72 -44.98 82.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.58 -59.77 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 52' ' ' MET . 79.7 t -45.43 -59.26 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -43.53 -56.0 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -48.74 -41.71 32.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.3 t80 -68.76 -43.09 76.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.759 ' CG1' HD11 ' A' ' 90' ' ' LEU . 84.7 mt -55.28 -52.67 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -59.74 -45.51 92.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.81 106.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.6 p -76.34 -23.24 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -64.35 -36.71 93.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -90.66 119.16 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.754 HG22 ' CE2' ' A' ' 111' ' ' PHE . 23.4 pt -95.22 -27.95 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.417 ' N ' HG13 ' A' ' 66' ' ' ILE . 12.7 ptpt -143.56 161.66 37.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.478 ' HE3' ' CZ ' ' A' ' 70' ' ' PHE . 26.4 ttpt -149.69 140.79 22.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HE3' ' CD2' ' A' ' 103' ' ' TYR . 73.0 tttt -106.51 137.61 44.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.701 ' HB2' HG13 ' A' ' 104' ' ' VAL . 57.6 m-85 -114.66 118.39 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -63.13 139.03 97.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.568 0.699 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 79.98 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 21.3 mtm -76.75 -42.36 41.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -128.06 177.57 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -93.08 -29.92 15.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.3 mm -95.8 -24.31 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.9 pt-20 -42.61 -27.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -64.88 -55.29 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.3 t -57.6 -41.92 82.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.775 HG23 ' HD3' ' A' ' 49' ' ' ARG . 41.8 mt -63.28 -56.51 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.707 HD23 HG11 ' A' ' 104' ' ' VAL . 38.6 tp -56.5 -42.89 79.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -53.23 -54.54 34.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 87' ' ' VAL . 19.6 t70 -54.42 -44.05 72.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.622 HG13 ' OE1' ' A' ' 53' ' ' GLU . 87.2 t -60.13 -38.52 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.694 HG13 ' HB2' ' A' ' 90' ' ' LEU . 74.1 t -69.6 -60.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.7 pt-20 -45.8 -35.26 4.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 83' ' ' ASP . 95.0 t -74.52 -38.97 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.683 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -67.08 -31.91 72.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.27 35.01 2.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.759 HD11 ' CG1' ' A' ' 60' ' ' ILE . 93.8 mt -127.02 168.09 15.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.0 m -100.65 136.51 40.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 1.1 t -127.96 159.0 36.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 46.0 m-85 -163.01 160.56 24.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 t -115.17 119.86 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.599 ' O ' ' CE2' ' A' ' 103' ' ' TYR . 31.0 m-85 -136.45 123.71 21.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.26 153.56 22.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -76.39 -35.38 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -125.77 137.17 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -42.76 -37.18 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -67.83 -42.25 81.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 86.3 m -102.46 117.85 35.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -141.94 108.91 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 95' ' ' PHE . 21.4 p90 -90.03 165.93 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.707 HG11 HD23 ' A' ' 81' ' ' LEU . 7.4 p -115.3 112.01 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.2 mmm -97.36 163.16 13.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.447 HG22 ' OG ' ' A' ' 92' ' ' SER . 5.6 pt -143.73 137.57 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.532 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 9.4 m-85 -121.66 166.48 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.683 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 30.7 mttt -87.78 173.85 8.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -63.47 -49.08 75.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -79.22 -38.66 35.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.754 ' CE2' HG22 ' A' ' 66' ' ' ILE . 63.3 m-85 -89.47 17.94 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.82 144.63 90.96 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 0.0 111.153 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.532 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.5 Cg_endo -69.77 152.1 69.19 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.719 2.28 . . . . 0.0 112.297 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.6 m -92.83 166.36 12.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -55.78 -67.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -52.89 -41.66 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 19.8 mm-40 -63.29 -38.84 92.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 23.7 mt -59.64 -48.69 80.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -59.79 -43.33 94.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.8 p -68.91 -39.22 79.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.539 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 17.6 m-85 -56.34 -44.7 80.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -67.53 -47.54 69.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -58.8 -28.81 66.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 117.43 -86.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.2 p -147.98 143.74 27.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -171.63 -64.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -0.24 6.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.334 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.8 m -93.75 129.72 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 67.2 m -78.59 144.49 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.0 t -144.61 109.52 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.4 p -57.06 124.96 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 164.79 -176.07 40.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 m -55.44 -57.91 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.1 m -66.94 127.76 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.67 -94.77 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -131.68 161.58 32.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.457 ' HG2' HD11 ' A' ' 80' ' ' ILE . 3.4 mptt -85.4 -39.13 17.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 t -44.71 -68.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -45.49 -47.02 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -56.17 -51.68 67.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -48.46 -53.1 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -51.86 -49.87 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -55.48 -43.11 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.704 ' O ' HG23 ' A' ' 56' ' ' VAL . 32.6 mmt -63.18 -44.86 94.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HG2' HG13 ' A' ' 84' ' ' VAL . 20.5 mt-10 -53.95 -45.39 71.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.489 ' C ' ' CD ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -63.52 -58.24 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -49.3 -49.46 43.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 52' ' ' MET . 87.4 t -55.65 -61.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.802 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.7 t -44.41 -56.82 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -46.68 -46.53 20.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.8 t80 -64.3 -36.97 85.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 57' ' ' SER . 94.1 mt -56.06 -56.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -58.54 -44.63 89.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.99 120.48 6.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.4 p -87.83 -48.17 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.42 -39.7 4.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -86.9 131.58 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 1.087 HG22 ' CE2' ' A' ' 111' ' ' PHE . 11.9 pt -106.34 -22.95 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -147.07 161.99 39.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HB3' HD11 ' A' ' 106' ' ' ILE . 63.4 tttt -136.22 129.45 31.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -103.61 121.28 42.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.739 ' HB2' HG13 ' A' ' 104' ' ' VAL . 48.6 m-85 -100.82 158.23 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -100.01 137.95 20.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.727 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 80.73 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.1 mtm -83.01 -42.84 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -128.59 158.16 39.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -76.92 -33.96 57.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.0 mm -91.12 -15.81 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.96 -37.31 63.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.593 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 4.9 mtm105 -59.98 -44.48 94.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 t -63.58 -55.46 23.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.457 HD11 ' HG2' ' A' ' 45' ' ' LYS . 52.8 mt -54.39 -55.5 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 85' ' ' VAL . 17.2 tp -59.08 -37.83 78.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 9.2 m-70 -55.55 -44.84 77.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.667 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.2 t70 -66.88 -42.43 85.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.525 HG13 ' HG2' ' A' ' 53' ' ' GLU . 98.4 t -58.91 -36.4 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 81' ' ' LEU . 93.3 t -72.59 -62.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -46.94 -33.98 5.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 83' ' ' ASP . 76.5 t -73.58 -44.26 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -59.57 -32.58 70.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.14 37.2 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.733 HD11 HG12 ' A' ' 60' ' ' ILE . 89.7 mt -127.01 170.89 11.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.965 0.412 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.2 m -91.8 140.03 30.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.5 p -130.19 142.62 50.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -157.45 135.24 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.2 p -93.1 113.62 25.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.593 ' O ' ' CE1' ' A' ' 103' ' ' TYR . 70.6 m-85 -121.59 124.04 43.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.12 152.84 22.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -85.38 -38.06 19.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.75 137.29 53.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 99' ' ' ASP . 5.9 t0 -45.06 -42.8 8.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -66.45 -42.25 87.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 11.1 t -110.01 107.93 17.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.407 ' CD ' HH21 ' A' ' 78' ' ' ARG . 10.5 ptt180 -132.06 120.81 22.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 25.1 p90 -96.29 165.52 12.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.739 HG13 ' HB2' ' A' ' 70' ' ' PHE . 4.3 p -110.6 138.54 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.6 mtp -128.92 162.01 28.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 68' ' ' LYS . 19.4 pt -140.54 143.38 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.75 162.37 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 39.3 mttt -82.87 174.11 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -66.33 -49.82 65.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.94 -40.4 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 1.087 ' CE2' HG22 ' A' ' 66' ' ' ILE . 58.0 m-85 -86.37 18.02 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.43 144.71 92.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 111.079 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.456 ' CG ' HD21 ' A' ' 118' ' ' LEU . 53.9 Cg_endo -69.77 158.71 56.01 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.8 m -91.21 161.54 15.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.86 -66.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -52.09 -47.99 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.47 -43.42 79.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.456 HD21 ' CG ' ' A' ' 113' ' ' PRO . 29.4 mt -54.91 -52.05 64.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -53.46 -48.61 68.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.7 m -67.58 -34.35 76.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -56.19 -45.36 79.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.46 -43.45 66.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -58.71 -27.24 64.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 79.86 42.92 10.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -77.98 146.15 35.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -89.23 -169.64 44.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 103.98 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.385 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 96.4 p -132.12 156.79 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 90.6 p -101.74 130.17 48.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.2 m -79.42 126.26 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.884 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -80.82 -56.59 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.74 -68.8 2.28 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -67.79 111.26 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -40.4 -53.27 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.59 122.0 7.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -141.0 150.69 43.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' VAL . 42.8 mttp -44.89 -43.1 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' LYS . 71.9 t -36.05 -68.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -45.03 -62.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 92.0 t80 -43.12 -55.34 3.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -44.68 -58.47 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -46.05 -52.01 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -50.41 -57.2 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.606 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -50.74 -46.82 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -52.27 -41.68 63.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -69.75 -47.52 62.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.96 -54.74 43.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.5 t -52.92 -59.56 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.626 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.9 t -43.38 -55.7 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -49.17 -44.61 42.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.525 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -65.86 -39.48 90.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.838 HG12 HD11 ' A' ' 90' ' ' LEU . 85.1 mt -54.49 -61.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -55.84 -46.47 78.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -59.88 116.12 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.2 m -76.86 -49.82 14.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.6 -40.31 2.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -81.47 116.41 21.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.607 HG22 ' CE2' ' A' ' 111' ' ' PHE . 12.0 pt -99.99 -17.73 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' HD2' ' CE ' ' A' ' 105' ' ' MET . 20.6 pttp -153.95 157.38 39.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HB3' HD11 ' A' ' 106' ' ' ILE . 41.7 tttt -136.14 116.08 13.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.5 ' HE2' ' CG ' ' A' ' 103' ' ' TYR . 9.8 tmtt? -95.84 115.5 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.62 ' HB2' HG13 ' A' ' 104' ' ' VAL . 87.7 m-85 -93.13 147.91 22.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -85.32 138.39 36.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.57 0.7 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 80.2 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.5 mtm -83.38 -42.61 16.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -128.38 156.15 43.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -27.96 58.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.2 mm -95.71 -14.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -56.84 -36.03 69.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.606 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 4.5 mtm105 -60.3 -44.03 95.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -63.7 -57.47 9.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.8 mt -52.98 -60.12 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.821 HD23 HG11 ' A' ' 104' ' ' VAL . 22.3 tp -52.4 -42.02 63.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 8.9 m-70 -51.85 -59.27 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.4 t70 -50.46 -45.19 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.0 t -58.14 -37.46 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 81' ' ' LEU . 86.9 t -65.88 -38.7 82.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.23 -49.33 64.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 83' ' ' ASP . 51.5 t -57.22 -39.87 70.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.801 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -65.01 -34.91 79.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.88 37.19 2.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.838 HD11 HG12 ' A' ' 60' ' ' ILE . 96.2 mt -126.51 160.47 30.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -77.61 145.12 36.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.534 ' O ' ' CG ' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -124.73 153.99 41.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 92' ' ' SER . 32.2 m-85 -168.38 162.34 12.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.95 123.63 22.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 93' ' ' PHE . 20.2 m-85 -133.14 128.31 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.09 153.62 22.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -86.39 -28.05 23.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -124.15 129.63 51.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -43.4 -34.38 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.51 -42.2 53.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 41.5 t -103.33 117.22 34.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -140.54 117.57 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.5 ' CG ' ' HE2' ' A' ' 69' ' ' LYS . 4.1 p90 -90.02 165.11 14.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.821 HG11 HD23 ' A' ' 81' ' ' LEU . 10.8 p -111.04 122.76 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.5 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 45.2 mtp -115.91 146.18 42.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 68' ' ' LYS . 13.1 pt -124.15 146.35 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -128.14 166.45 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.654 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 32.5 mttt -88.93 174.24 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -68.64 -46.82 68.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -80.05 -40.24 28.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.607 ' CE2' HG22 ' A' ' 66' ' ' ILE . 45.6 m-85 -87.49 18.01 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.3 144.94 92.77 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.443 ' HG2' HD21 ' A' ' 118' ' ' LEU . 54.0 Cg_endo -69.73 160.04 51.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -95.41 164.05 12.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.51 -66.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -53.5 -44.47 69.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 56.7 mm-40 -60.55 -36.44 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.443 HD21 ' HG2' ' A' ' 113' ' ' PRO . 31.4 mt -62.81 -46.93 85.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -59.24 -43.2 92.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.3 m -71.36 -41.79 69.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 14.3 m-85 -51.42 -47.9 62.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mtp-105 -69.79 -43.46 72.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -59.21 -28.59 66.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 84.54 -76.38 2.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.4 m -129.45 168.66 16.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.84 70.17 0.84 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.543 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 174.83 8.94 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.5 t -96.23 147.55 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 68.0 m -124.79 158.94 32.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 61.1 p -76.14 130.39 38.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.6 p -77.36 125.85 29.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -41.29 141.07 1.22 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.539 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.1 m -94.63 160.61 14.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.824 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -147.05 147.7 30.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.21 39.64 2.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -110.3 -37.95 5.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.496 ' HD2' HD11 ' A' ' 80' ' ' ILE . 35.4 mmtt -55.25 -32.4 62.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.463 ' C ' ' O ' ' A' ' 45' ' ' LYS . 86.3 t -33.04 -65.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -43.54 -58.75 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 77' ' ' GLU . 75.2 t80 -45.55 -55.88 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -47.21 -46.01 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -55.59 26.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -48.68 -54.51 14.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.447 ' HE3' ' N ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -50.03 -48.35 52.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.79 -48.51 59.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -65.52 -45.58 82.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -61.51 -65.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.2 t -42.39 -56.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.9 t -46.65 -55.92 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -48.15 -43.21 31.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.5 t80 -65.96 -42.62 89.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.797 HD11 ' HB1' ' A' ' 88' ' ' ALA . 95.9 mt -56.13 -56.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -56.15 -45.78 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.452 ' OD1' ' NE2' ' A' ' 65' ' ' GLN . 3.4 t0 -61.01 112.4 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.7 t -69.97 -49.07 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.86 -39.29 11.01 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.452 ' NE2' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -72.91 120.26 18.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.902 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 1.104 HG22 ' CE2' ' A' ' 111' ' ' PHE . 7.6 pt -106.0 -28.26 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 66' ' ' ILE . 11.0 ptpt -151.12 160.35 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.612 ' HB3' HD11 ' A' ' 106' ' ' ILE . 41.4 tttp -145.62 129.23 17.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -112.75 108.42 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -82.37 169.12 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -103.17 139.76 20.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.7 mtm -95.28 -44.65 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -130.11 177.2 7.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -90.22 -35.72 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.7 mm -85.05 -37.57 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.652 ' HA ' HD12 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -40.61 -33.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.499 ' CD ' ' HB ' ' A' ' 104' ' ' VAL . 12.4 mmp_? -60.36 -64.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 t -47.16 -45.93 23.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 77' ' ' GLU . 10.6 mt -59.97 -56.61 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.837 HD23 HG11 ' A' ' 104' ' ' VAL . 24.3 tp -52.12 -42.21 63.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -54.96 -53.39 56.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 87' ' ' VAL . 5.6 t0 -53.74 -45.54 70.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.3 t -56.69 -38.5 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.714 HG13 ' HB2' ' A' ' 90' ' ' LEU . 95.8 t -68.83 -65.56 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.9 pt-20 -41.17 -35.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 83' ' ' ASP . 90.9 t -73.66 -41.01 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.797 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -64.29 -34.43 78.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.03 35.36 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.714 ' HB2' HG13 ' A' ' 85' ' ' VAL . 58.7 mt -126.93 170.01 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.928 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.7 m -95.59 120.47 35.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.1 p -108.82 146.23 33.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.579 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 14.4 m-85 -153.57 168.39 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.8 p -125.27 109.68 13.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.596 ' CE1' ' HG2' ' A' ' 122' ' ' ARG . 95.1 m-85 -122.91 124.07 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.99 142.83 13.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -73.36 -41.78 63.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -116.26 165.89 12.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.94 -42.84 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -69.97 -42.14 73.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 10.5 t -96.38 115.76 27.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 61.3 mtm-85 -136.2 104.89 5.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 95' ' ' PHE . 23.6 p90 -89.78 166.21 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.837 HG11 HD23 ' A' ' 81' ' ' LEU . 7.4 p -115.34 146.24 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 60.9 mtp -131.56 151.27 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.612 HD11 ' HB3' ' A' ' 68' ' ' LYS . 23.3 pt -131.88 144.61 36.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.526 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 8.8 m-85 -131.36 157.41 43.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 47.8 mttt -84.16 172.93 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -55.65 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -72.97 -40.48 65.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 1.104 ' CE2' HG22 ' A' ' 66' ' ' ILE . 44.4 m-85 -86.45 18.05 3.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.34 144.56 92.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.526 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.9 Cg_endo -69.8 159.81 52.02 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.321 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 13.8 m -95.27 162.31 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -54.64 -67.5 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -52.13 -47.67 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.478 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 5.7 mm-40 -56.54 -42.55 78.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.0 mt -56.1 -50.07 72.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -57.44 -39.5 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.3 t -69.9 -45.7 67.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -52.9 -45.84 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.596 ' HG2' ' CE1' ' A' ' 95' ' ' PHE . 38.4 mtt180 -66.43 -43.44 85.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.4 mmm-85 -58.76 -28.77 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 148.97 -163.81 29.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.3 t -127.11 149.1 50.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 143.15 -176.62 22.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 167.17 25.13 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.1 t -74.1 -54.38 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 20.5 p 52.03 40.13 27.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.524 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -79.81 143.83 34.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.8 t -82.23 -60.63 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.74 -131.18 7.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.9 p -110.33 130.44 55.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.9 p -135.83 161.26 36.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.89 -161.93 38.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -156.51 151.5 26.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.946 ' NZ ' HG21 ' A' ' 76' ' ' ILE . 12.5 mtpp -56.69 -43.74 80.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.3 t -41.05 -65.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -41.28 -50.51 3.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.618 ' HD2' HG21 ' A' ' 80' ' ' ILE . 88.3 t80 -57.95 -43.43 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -52.21 -51.36 58.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -57.02 -49.55 75.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 -49.16 -46.96 46.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.405 ' HB2' HG21 ' A' ' 84' ' ' VAL . 25.1 mmt -60.84 -41.65 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -53.86 -47.73 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -65.05 -45.75 84.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -60.37 -62.18 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.419 ' CG1' HD12 ' A' ' 90' ' ' LEU . 70.1 t -45.86 -56.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.541 ' HA ' HD12 ' A' ' 60' ' ' ILE . 5.6 t -45.23 -53.34 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -49.92 -45.33 50.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 2.7 t80 -62.82 -38.83 92.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.025 ' CG1' HD11 ' A' ' 90' ' ' LEU . 81.1 mt -56.11 -53.33 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.29 -42.01 90.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -60.55 115.33 3.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.7 m -72.81 -60.01 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -41.29 -38.0 1.8 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -74.28 123.11 23.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.48 HG13 ' N ' ' A' ' 67' ' ' LYS . 13.6 pt -117.96 -29.4 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.48 ' N ' HG13 ' A' ' 66' ' ' ILE . 43.2 pttt -156.77 144.56 19.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 69' ' ' LYS . 29.9 tttp -153.17 147.18 25.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.488 ' CB ' ' HG2' ' A' ' 105' ' ' MET . 8.3 pttm -114.22 129.03 56.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.48 ' HB2' ' CG1' ' A' ' 104' ' ' VAL . 57.1 m-85 -89.98 137.67 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.411 ' O ' ' SD ' ' A' ' 73' ' ' MET . 52.6 mm-40 -63.64 139.68 97.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.267 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.489 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -88.15 -44.85 10.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.489 ' ND2' ' HB2' ' A' ' 73' ' ' MET . 1.7 m-80 -130.46 172.42 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -80.7 -27.18 37.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.946 HG21 ' NZ ' ' A' ' 45' ' ' LYS . 40.9 mm -95.15 -29.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 78' ' ' ARG . 1.6 pp20? -33.68 -38.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.479 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 32.1 ttp85 -60.11 -54.11 49.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' ILE . 9.6 m -58.89 -52.3 66.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.618 HG21 ' HD2' ' A' ' 48' ' ' PHE . 31.0 mt -50.91 -62.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.797 HD23 HG11 ' A' ' 104' ' ' VAL . 46.3 tp -51.49 -45.65 62.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 21.2 m-70 -48.62 -43.45 36.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.654 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.9 t0 -67.67 -42.41 82.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.405 HG21 ' HB2' ' A' ' 52' ' ' MET . 78.6 t -62.14 -40.69 88.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.17 -60.64 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 5.8 pt-20 -47.23 -37.95 11.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 83' ' ' ASP . 85.1 t -72.4 -41.03 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.2 -31.59 72.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.49 34.73 3.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.53 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.025 HD11 ' CG1' ' A' ' 60' ' ' ILE . 87.1 mt -126.95 166.08 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.423 ' CG2' ' CE2' ' A' ' 93' ' ' PHE . 22.0 m -83.36 131.56 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 p -118.21 146.8 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.512 ' CE2' ' HG2' ' A' ' 113' ' ' PRO . 37.3 m-85 -160.23 167.76 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.7 m -132.66 116.06 16.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 93' ' ' PHE . 88.9 m-85 -125.81 124.89 41.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.08 136.36 8.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.51 -45.26 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -117.65 162.43 18.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.8 -40.29 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 32.4 t -90.63 109.77 20.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -132.14 105.74 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.485 ' CE1' ' O ' ' A' ' 95' ' ' PHE . 9.1 p90 -108.11 151.94 25.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.797 HG11 HD23 ' A' ' 81' ' ' LEU . 13.9 p -92.02 156.41 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.488 ' HG2' ' CB ' ' A' ' 69' ' ' LYS . 10.7 mtp -140.58 160.73 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.8 pt -144.7 138.15 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.23 172.26 8.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.588 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 37.0 mttt -92.32 173.02 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.41 -47.49 76.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.21 -39.62 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -87.22 17.98 3.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.16 144.15 92.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.512 ' HG2' ' CE2' ' A' ' 93' ' ' PHE . 53.8 Cg_endo -69.75 159.81 52.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.302 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 m -96.34 164.53 12.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -55.22 -67.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.28 -46.16 69.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.443 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 76.3 mm-40 -57.8 -40.66 80.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.52 -50.6 73.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -55.34 -43.29 74.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.6 m -70.59 -40.03 73.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 15.0 m-85 -52.81 -50.22 64.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -68.88 -46.68 67.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -60.05 -25.08 65.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 89.35 -143.59 17.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.7 p -147.75 166.29 27.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.402 . . . . 0.0 110.871 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -159.04 -80.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 179.14 3.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.298 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.9 t -118.58 148.57 42.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 m -65.95 112.62 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m 63.21 40.41 8.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -86.47 115.59 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.85 -177.3 32.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.4 p -131.17 159.25 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 t -67.93 119.96 13.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.62 85.95 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -129.15 119.09 23.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 46' ' ' VAL . 23.6 mmtm -46.57 -38.48 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 45' ' ' LYS . 85.2 t -33.7 -59.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' VAL . 73.1 mt-10 -37.9 -59.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 88.0 t80 -51.78 -52.4 49.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -40.85 -54.86 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -57.44 -52.23 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -51.56 -40.02 58.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.602 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 34.5 mmt -67.24 -43.43 81.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HG2' HG13 ' A' ' 84' ' ' VAL . 57.1 mt-10 -54.27 -41.65 69.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -67.65 -48.48 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.48 -57.84 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 52' ' ' MET . 96.9 t -47.97 -60.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.7 t -47.27 -58.32 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -44.44 -44.0 8.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -65.56 -44.62 86.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.873 HG12 HD11 ' A' ' 90' ' ' LEU . 85.5 mt -53.73 -59.33 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -56.83 -43.06 80.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.39 110.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -63.61 -54.46 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.56 -39.63 8.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -73.14 121.98 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 67' ' ' LYS . 8.0 pt -114.98 -26.55 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 66' ' ' ILE . 43.9 pttt -154.14 148.6 26.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.732 ' HB3' HD11 ' A' ' 106' ' ' ILE . 46.7 tttm -139.39 143.89 37.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -123.42 121.2 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.552 ' HB2' HG13 ' A' ' 104' ' ' VAL . 87.4 m-85 -91.15 169.23 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.416 ' O ' ' SD ' ' A' ' 73' ' ' MET . 11.0 mm100 -105.18 138.77 19.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' A' ' 103' ' ' TYR . 53.1 Cg_endo -69.81 82.73 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.416 ' SD ' ' O ' ' A' ' 71' ' ' GLN . 2.5 mpp? -77.03 -45.14 28.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.51 ' HB2' ' CG ' ' A' ' 77' ' ' GLU . 3.4 m120 -130.7 177.82 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -91.1 -29.15 17.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.555 HG22 HD11 ' A' ' 80' ' ' ILE . 33.2 mm -87.16 -43.73 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.879 ' HA ' HD12 ' A' ' 80' ' ' ILE . 5.9 mm-40 -39.83 -31.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.496 ' NH2' ' C ' ' A' ' 103' ' ' TYR . 0.0 OUTLIER -55.77 -61.22 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.6 t -56.95 -42.67 80.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.879 HD12 ' HA ' ' A' ' 77' ' ' GLU . 16.8 mt -57.56 -59.97 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.871 HD23 HG11 ' A' ' 104' ' ' VAL . 36.5 tp -51.39 -43.26 61.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.426 ' NE2' ' HD2' ' A' ' 78' ' ' ARG . 3.2 m-70 -55.66 -42.98 75.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.74 ' O ' HG23 ' A' ' 87' ' ' VAL . 4.4 t70 -61.99 -45.39 93.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.428 HG13 ' HG2' ' A' ' 53' ' ' GLU . 88.9 t -63.16 -35.92 73.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 81' ' ' LEU . 69.5 t -70.46 -56.66 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -51.85 -34.55 41.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 83' ' ' ASP . 86.6 t -71.47 -43.19 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.89 -33.59 75.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.55 37.49 1.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.873 HD11 HG12 ' A' ' 60' ' ' ILE . 84.5 mt -126.74 163.82 22.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -86.46 145.69 26.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.6 p -139.01 141.38 38.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 35.9 m-85 -151.38 153.79 35.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.7 p -111.62 110.76 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 43.1 m-85 -126.99 123.9 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.37 166.55 25.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -82.23 -37.92 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -129.53 153.88 47.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -46.13 -50.44 15.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -65.01 -42.19 94.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.42 104.81 17.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.411 ' O ' ' NH2' ' A' ' 78' ' ' ARG . 43.5 mtp180 -138.06 116.2 11.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.552 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 4.0 p90 -101.79 165.3 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.871 HG11 HD23 ' A' ' 81' ' ' LEU . 11.9 p -109.21 144.22 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.6 mtp -130.74 163.78 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.732 HD11 ' HB3' ' A' ' 68' ' ' LYS . 17.9 pt -142.93 146.98 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.461 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 18.4 m-85 -135.25 164.79 26.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 34.2 mttt -89.25 174.26 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -63.46 -58.13 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -72.1 -40.49 68.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.407 ' CG ' ' HB ' ' A' ' 66' ' ' ILE . 25.7 m-85 -84.93 17.95 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -69.75 143.71 92.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.572 0.701 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.461 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.8 Cg_endo -69.82 159.91 51.62 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 m -95.93 166.39 11.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -56.57 -65.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -52.69 -49.26 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 5.1 mm-40 -56.49 -44.98 81.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.3 mt -52.59 -49.11 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -63.45 -38.46 91.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.1 m -74.12 -25.55 59.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 15.4 m-85 -73.45 -47.63 40.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.545 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -70.33 -33.21 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -71.12 0.8 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.38 98.81 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.6 t -57.94 -42.22 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.848 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.66 172.81 27.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 163.39 38.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.344 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.5 t -156.26 155.45 32.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.822 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -63.47 129.71 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.1 p -121.6 119.6 32.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -77.49 148.1 35.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.37 79.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.1 t -45.78 -60.39 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.2 p -94.97 115.77 27.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 44' ' ' GLN . . . 151.26 -43.2 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -34.49 -41.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 44' ' ' GLN . 16.6 mttm -34.4 -48.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' LYS . 70.4 t -34.68 -66.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -45.64 -55.68 6.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CZ ' ' SD ' ' A' ' 52' ' ' MET . 68.1 t80 -52.15 -60.81 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 -40.45 -48.64 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -55.36 -54.44 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -49.43 -51.62 34.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.591 ' SD ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -51.79 -46.54 64.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -55.74 -41.49 74.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -50.22 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.42 -54.71 42.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 52' ' ' MET . 98.4 t -54.97 -61.14 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.739 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.8 t -44.32 -58.1 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -46.25 -44.36 16.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.0 -43.15 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' A' ' 57' ' ' SER . 61.1 mt -53.43 -59.52 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -53.7 -42.37 67.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.92 121.98 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 t -83.68 -61.84 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -39.18 -39.68 1.06 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -82.48 118.7 23.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.484 HG22 ' CE2' ' A' ' 111' ' ' PHE . 25.1 pt -100.15 -29.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' N ' HG13 ' A' ' 66' ' ' ILE . 50.7 pttt -143.07 153.8 43.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HB3' HD11 ' A' ' 106' ' ' ILE . 42.2 tttm -134.56 139.52 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.485 ' HG3' ' CG ' ' A' ' 105' ' ' MET . 1.4 ttpm? -108.04 125.78 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.815 ' HB2' HG13 ' A' ' 104' ' ' VAL . 42.7 m-85 -96.34 161.72 13.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.447 ' NE2' ' HD2' ' A' ' 72' ' ' PRO . 14.9 tm0? -107.67 136.21 19.69 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.447 ' HD2' ' NE2' ' A' ' 71' ' ' GLN . 53.7 Cg_endo -69.79 83.28 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.6 mtm -82.7 -42.42 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -128.24 177.79 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -91.29 -32.2 15.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.0 mm -91.66 -30.19 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 4.6 pt-20 -39.64 -30.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.431 ' N ' ' HG3' ' A' ' 77' ' ' GLU . 37.9 ttp85 -64.27 -57.2 10.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -54.71 -47.91 73.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.1 mt -59.77 -58.06 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.675 HD23 HG11 ' A' ' 104' ' ' VAL . 20.3 tp -51.89 -43.63 63.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -54.96 -47.06 75.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.678 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.3 t0 -57.48 -47.17 82.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.1 t -60.71 -36.48 71.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.55 HG13 ' HB2' ' A' ' 90' ' ' LEU . 84.7 t -69.57 -57.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 10.2 pt-20 -49.58 -34.11 16.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 83' ' ' ASP . 84.2 t -75.01 -41.78 45.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.63 75.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.09 40.34 1.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.609 HD11 ' CG1' ' A' ' 60' ' ' ILE . 91.9 mt -126.86 169.68 13.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.8 m -92.96 134.26 35.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 92.8 p -123.18 127.77 49.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 29.5 m-85 -142.84 125.54 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -86.41 112.41 21.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 57.7 m-85 -118.99 124.41 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.49 141.66 12.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -76.66 -36.31 57.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.443 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 10.7 p-10 -130.97 154.98 47.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -41.2 93.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.93 -42.61 94.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 4.3 t -110.32 113.74 26.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpt85 -128.33 104.69 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 20.1 p90 -93.93 160.33 14.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.815 HG13 ' HB2' ' A' ' 70' ' ' PHE . 8.8 p -110.66 141.94 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.485 ' CG ' ' HG3' ' A' ' 69' ' ' LYS . 47.2 mtp -127.05 164.0 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 68' ' ' LYS . 7.7 pt -141.95 142.33 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -127.1 157.52 39.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 40.9 mttt -79.09 174.3 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -58.4 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -69.34 -36.77 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.484 ' CE2' HG22 ' A' ' 66' ' ' ILE . 51.0 m-85 -91.46 17.97 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -69.6 144.81 94.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.604 0.716 . . . . 0.0 111.067 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.428 ' HG2' HD21 ' A' ' 118' ' ' LEU . 53.8 Cg_endo -69.76 155.9 64.75 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 m -89.69 165.44 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -67.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -50.7 -46.99 59.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 121' ' ' TYR . 52.7 mt-10 -58.55 -45.06 89.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.428 HD21 ' HG2' ' A' ' 113' ' ' PRO . 19.4 mt -51.91 -50.8 60.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.58 -57.36 12.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.564 ' HA ' ' CG ' ' A' ' 123' ' ' ARG . 5.6 p -58.63 -34.11 70.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 117' ' ' GLU . 6.7 m-85 -56.75 -48.06 78.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -64.41 -56.53 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.564 ' CG ' ' HA ' ' A' ' 120' ' ' SER . 4.0 ptp180 -61.04 -26.36 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.41 143.67 13.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.0 p -78.41 118.23 20.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -169.82 136.31 3.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 112.17 3.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.352 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.9 p -75.27 114.75 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.814 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.5 p -66.18 -48.81 69.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 p 52.23 38.89 25.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.8 m -149.87 119.86 7.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.59 49.92 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -66.41 170.07 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.7 p -107.95 171.57 7.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.09 -95.42 0.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -57.25 -58.02 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.381 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.943 ' HD2' HD11 ' A' ' 80' ' ' ILE . 21.6 mmtm -39.47 -43.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' LYS . 96.4 t -35.12 -66.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' VAL . 40.3 mt-10 -36.09 -58.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 77' ' ' GLU . 94.4 t80 -54.81 -43.7 73.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -48.89 -51.41 30.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -59.88 -48.24 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -53.97 -40.37 66.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.649 ' SD ' HD13 ' A' ' 81' ' ' LEU . 27.5 mmt -67.6 -37.94 83.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.13 -42.02 89.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -67.68 -48.35 66.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.13 -52.98 62.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 52' ' ' MET . 79.2 t -54.11 -62.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.853 ' HA ' HD12 ' A' ' 60' ' ' ILE . 7.4 t -41.5 -56.72 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -47.74 -46.5 30.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -63.42 -33.66 76.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 57' ' ' SER . 83.3 mt -60.46 -58.0 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -55.91 -45.66 78.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.05 117.07 4.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 t -82.67 -48.65 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.99 -37.34 4.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -82.63 124.89 30.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.986 HG22 ' CE2' ' A' ' 111' ' ' PHE . 14.2 pt -108.37 -28.58 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' N ' HG13 ' A' ' 66' ' ' ILE . 22.7 pttp -144.64 155.96 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -138.21 144.58 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.474 ' HD3' ' CG ' ' A' ' 103' ' ' TYR . 0.4 OUTLIER -117.2 103.04 9.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.637 ' HB2' HG13 ' A' ' 104' ' ' VAL . 71.4 m-85 -84.26 138.97 32.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -79.73 138.88 54.15 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD3' ' HB3' ' A' ' 103' ' ' TYR . 54.0 Cg_endo -69.78 79.79 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 mtm -74.05 -44.24 54.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -129.73 177.19 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -86.68 -47.78 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 78' ' ' ARG . 1.4 mt -78.17 -34.42 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.654 ' HA ' HD12 ' A' ' 80' ' ' ILE . 26.4 mt-10 -38.99 -30.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' ILE . 20.0 ttp180 -64.96 -54.93 22.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 t -57.42 -45.49 84.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.943 HD11 ' HD2' ' A' ' 45' ' ' LYS . 12.2 mt -57.84 -53.28 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.673 HD23 HG11 ' A' ' 104' ' ' VAL . 33.4 tp -55.53 -43.43 75.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.499 ' CE1' ' HB2' ' A' ' 92' ' ' SER . 17.5 m-70 -53.82 -48.95 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.604 ' O ' HG23 ' A' ' 87' ' ' VAL . 7.7 t0 -58.94 -45.62 89.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.1 t -63.12 -36.53 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 81' ' ' LEU . 95.2 t -72.13 -56.79 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -50.43 -35.02 26.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 83' ' ' ASP . 72.2 t -74.36 -40.07 49.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.517 ' HB1' HD11 ' A' ' 60' ' ' ILE . . . -60.93 -31.09 70.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.43 34.08 2.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.731 HD11 HG12 ' A' ' 60' ' ' ILE . 88.3 mt -126.96 169.63 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.5 m -89.72 146.45 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.499 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . 29.1 p -132.23 134.59 45.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 14.0 m-85 -156.74 132.45 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -99.34 136.16 39.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 93' ' ' PHE . 62.5 m-85 -141.75 123.92 15.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.53 157.25 24.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -84.87 -28.96 25.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -119.6 150.35 40.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.81 -35.15 74.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -80.52 -42.26 22.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 85.5 m -96.17 109.66 22.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -142.15 117.68 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.552 ' CZ ' ' O ' ' A' ' 95' ' ' PHE . 3.4 p90 -90.06 164.68 14.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.673 HG11 HD23 ' A' ' 81' ' ' LEU . 14.1 p -109.06 123.74 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 16.2 mtp -111.95 161.44 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.1 pt -140.76 141.74 31.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.427 ' CG ' ' HD3' ' A' ' 113' ' ' PRO . 4.3 m-85 -122.62 167.65 13.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.649 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 45.8 mttt -93.44 170.55 9.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -61.78 -48.15 81.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -78.87 -37.46 40.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.986 ' CE2' HG22 ' A' ' 66' ' ' ILE . 50.1 m-85 -91.79 18.02 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 108' ' ' LYS . . . -70.85 144.73 90.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.427 ' HD3' ' CG ' ' A' ' 107' ' ' PHE . 53.7 Cg_endo -69.77 154.63 67.47 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.416 ' HB2' ' CG ' ' A' ' 117' ' ' GLU . 3.3 m -89.93 161.13 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -54.52 -67.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -51.02 -46.45 61.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.439 ' O ' ' CD2' ' A' ' 121' ' ' TYR . 62.8 mm-40 -58.13 -42.42 85.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.482 HD13 ' CZ ' ' A' ' 93' ' ' PHE . 31.0 mt -56.34 -49.04 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -56.09 -49.17 74.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.4 p -67.27 -34.52 77.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 117' ' ' GLU . 9.0 m-85 -56.89 -44.72 82.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -71.47 -42.79 67.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -58.92 -24.89 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 80.37 71.14 1.29 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.9 p -127.84 151.27 49.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 151.77 125.18 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.76 2.307 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.4 m -85.51 118.24 24.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 67.6 m -61.49 -55.23 33.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.955 . . . . . . . . 0 0 . 1 stop_ save_